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Nickel oxide(CAS No. 1313-99-1)

Nickel oxide NiO (cas 1313-99-1) Molecular Structure

1313-99-1 Structure

Identification and Related Records

【Name】
Nickel oxide
【CAS Registry number】
1313-99-1
【Synonyms】
Mononickel oxide
NiO-D
NiO-G 39
Nickel Oxide Sinter 75
Nickel monooxide
Nickel(II) oxide
Nickelous oxide
Nickel(Ⅱ)oxide,green
【EINECS(EC#)】
215-215-7
【Molecular Formula】
NiO (Products with the same molecular formula)
【Molecular Weight】
74.71
【Inchi】
InChI=1S/Ni.O
【InChIKey】
GNRSAWUEBMWBQH-UHFFFAOYSA-N
【Canonical SMILES】
O=[Ni]
【MOL File】
1313-99-1.mol

Chemical and Physical Properties

【Appearance】
olive green crystals
【Density】
6.67
【Melting Point】
1960 oC
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Water】
insoluble
【Solubilities】
insoluble
【Color/Form】
green
【Stability】
Stable. Incompatible with strong acids.
【Spectral properties】
INDEX OF REFRACTION: 2.1818 (RED)
【Computed Properties】
Molecular Weight:74.6928 [g/mol]
Molecular Formula:NiO
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:73.930263
MonoIsotopic Mass:73.930263
Topological Polar Surface Area:17.1
Heavy Atom Count:2
Formal Charge:0
Complexity:2
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
T: Toxic;
【Risk Statements】
R43;R49;R53
【Safety Statements 】
53-45-61-36/37
【Safety】
Confirmed carcinogen with experimental carcinogenic and tumorigenic data. Poison by intratracheal, intravenous, and subcutaneous routes. Mutation data reported. Can react violently with fluorine, hydrogen peroxide, hydrogen sulfide, iodine, barium oxide + air. See also NICKEL COMPOUNDS.Analytical?Methods:???For occupational chemical analysis use NIOSH: Nitric Oxide s321.
【PackingGroup 】
Z01
【Cleanup Methods】
PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/
【Transport】
3288
【Formulations/Preparations】
A commercial grade of nickel oxide powder contains 78% minimum nickel plus cobalt while nickel oxide sinters (partially reduced commercial forms) are available in grades containing 75%, 77%, and 96% nickel.
Plasma spray grade; -100 mesh; -150, +325 mesh; -325 mesh, 99 & 99.995% purity grades; high-purity grades; powder grade
【Reactivities and Incompatibilities】
REACTS VIOLENTLY WITH IODINE, HYDROGEN SULFIDE, (BARIUM OXIDE + AIR).
Nickel monoxide becomes incandescent in fluorine gas.
The effect of metal oxides in sensitizing the thermal decomp and explosion of ... /anilinium perchlorate/ is in the order: manganese dioxide> copper oxide> nickel oxide.
Mixtures of barium oxide with ... nickel oxide ... react vigorously with hydrogen sulfide in air and vivid incandescence or explosion may result.
In the presence of air, contact with mixtures of calcium oxide ... with ... nickel oxide may cause vivid incandescence or explosion.
【Other Preventative Measures】
PRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Principles that apply to chem or biochem lab also apply to microbiological & cell-culture labs ... Special consideration should be given to route of admin. ... Safest method of administering volatile carcinogen is by injection of a soln. Admin by topical application, gavage, or intratracheal instillation should be performed under hood. If chem will be exhaled, animals should be kept under hood during this period. Inhalation exposure requires special equipment. ... unless specifically required, routes of admin other than in the diet should be used. Mixing of carcinogen in diet should be carried out in sealed mixers under a fume hood, from which the exhaust is fitted with an efficient particulate filter. Techniques for cleaning mixer & hood should be devised before expt begun. When mixing diets, special protective clothing &, possibly, respirators may be required. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": When ... admin in diet or applied to skin, animals should be kept in cages with solid bottoms & sides & fitted with a filter top. When volatile carcinogens are given, filter tops should not be used. Cages which have been used to house animals that received carcinogens should be decontaminated. Cage-cleaning facilities should be installed in area in which carcinogens are being used, to avoid moving of ... contaminated /cages/. It is difficult to ensure that cages are decontaminated, & monitoring methods are necessary. Situations may exist in which the use of disposable cages should be recommended, depending on type & amt of carcinogen & efficiency with which it can be removed. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": To eliminate risk that ... contamination in lab could build up during conduct of expt, periodic checks should be carried out on lab atmospheres, surfaces, such as walls, floors, benches, ... interior of fume hoods & airducts. As well as regular monitoring, a check must be carried out after cleaning-up of spillage. Sensitive methods are required when testing lab atmospheres for chem such as nitrosamines. Methods ... should ... where possible, be simple & sensitive. ... /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Rooms in which obvious contamination has occurred, such as spillage, should be decontaminated by lab personnel engaged in expt. Design of expt should ... avoid contamination of permanent equipment. ... Procedures should ensure that maintenance workers are not exposed to carcinogens. ... Particular care should be taken to avoid contamination of drains or ventilation ducts. In cleaning labs, procedures should be used which do not produce aerosols or dispersal of dust, ie, wet mop or vacuum cleaner equipped with high-efficiency particulate filter on exhaust, which are avail commercially, should be used. Sweeping, brushing & use of dry dusters or mops should be prohibited. Grossly contaminated cleaning materials should not be re-used ... If gowns or towels are contaminated, they should not be sent to laundry, but ... decontaminated or burnt, to avoid any hazard to laundry personnel. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Doors leading into areas where carcinogens are used ... should be marked distinctively with appropriate labels. Access ... limited to persons involved in expt. ... A prominently displayed notice should give the name of the Scientific Investigator or other person who can advise in an emergency & who can inform others (such as firemen) on the handling of carcinogenic substances. /Chemical Carcinogens/
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Specification】

The Nickel(II) oxide, with the cas registry number 1313-99-1, is a kind of green to dark green powder. This is soluble in acid and ammonia water while insoluble in water and liquid ammonia and it is stable chemically but incompatible with strong acids. When heated to 400 °C, it will produce nickelic trioxide after absorbing oxygen, and then restore to nickel monoxide when heated to 600 °C.

The product categories of this chemical are as follows: Inorganics; NickelNanomaterials; 28: Ni; Nanomaterials; Nanoparticles: Oxides, Nitrides, and Other CeramicsMetal and Ceramic Science; Nanopowders and Nanoparticle Dispersions; Electrode MaterialsMetal and Ceramic Science; NickelSupported Synthesis; Catalysis and Inorganic Chemistry; Chemical Synthesis; Reagents; Silica Gel; Alternative Energy; Electrode Materials; Materials Science; Metal and Ceramic Science; Oxides.

The characteristics of this chemical are as follows: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 17.07; (5)Exact Mass: 73.930263; (6)MonoIsotopic Mass: 73.930263; (7)Topological Polar Surface Area: 17.1; (8)Heavy Atom Count: 2; (9)Formal Charge: 0; (10)Complexity: 2.

As to its usage, it is widely applied in may ways. It could be used as adherence promotors and coloring agent of enamel, and also as the pigment of ceramics and glass; It could be also used in producing the chemical of nickel-zincferrite in magnetism material, nickel salt raw material, nickel (Ni) catalytic agent and also in application of metallurgy and kinescope; Then it could also be used as the electronic component materials.?

People should be careful while dealing with this chemical. For one thing, it is toxic which could at low levels cause damage to health, and may cause cancer by inhalation. For another thing, it is irritant that may cause inflammation to the skin or other mucous membranes, and could cause sensitization by skin contact. In addition, it may cause long-term adverse effects in the aquatic environment. You should take the following instructions. Wear suitable protective clothing and gloves, and avoid exposure - obtain special instructions before use. If in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible). Avoid release to the environment, and you could efer to special instructions / safety data sheets.

You could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: O=[Ni]
(2)InChI: InChI=1S/Ni.O
(3)InChIKey: GNRSAWUEBMWBQH-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 12700ug/kg (12.7mg/kg) ? Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975.
?
dog LDLo intravenous 9mg/kg (9mg/kg) ? Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975.
?
mouse LD50 subcutaneous 50mg/kg (50mg/kg) ? Zhurnal Vsesoyuznogo Khimicheskogo Obshchestva im. D.I. Mendeleeva. Journal of the D.I. Mendeleeva All-Union Chemical Society. Vol. 19, Pg. 186, 1974.
rat LDLo intratracheal 20mg/kg (20mg/kg) ? National Technical Information Service. Vol. AEC-TR-6710,
rat LDLo oral 5gm/kg (5000mg/kg) ? Food & Drug Research Laboratories, Inc., Papers. Vol. 7684B, Pg. 1983,

【Report】

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 1 IMEMDT ?? IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 264.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.:?) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT ?? IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 2 ,1973,p. 126.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.:?) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT ?? IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 11 ,1976,p. 75.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.:?) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Nickel and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... small quantities of ... some carcinogens can be destroyed using chem reactions ... but no general rules can be given. ... As a general technique ... treatment with sodium dichromate in strong sulfuric acid can be used. The time necessary for destruction ... is seldom known ... but 1-2 days is generally considered sufficient when freshly prepd reagent is used. ... Carcinogens that are easily oxidizable can be destroyed with milder oxidative agents, such as sat soln of potassium permanganate in acetone, which appears to be a suitable agent for destruction of hydrazines or of compounds containing isolated carbon-carbon double bonds. Concn or 50% aqueous sodium hypochlorite can also be used as an oxidizing agent. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Carcinogens that are alkylating, arylating or acylating agents per se can be destroyed by reaction with appropriate nucleophiles, such as water, hydroxyl ions, ammonia, thiols & thiosulfate. The reactivity of various alkylating agents varies greatly ... & is also influenced by sol of agent in the reaction medium. To facilitate the complete reaction, it is suggested that the agents be dissolved in ethanol or similar solvents. ... No method should be applied ... until it has been thoroughly tested for its effectiveness & safety on material to be inactivated. For example, in case of destruction of alkylating agents, it is possible to detect residual compounds by reaction with 4(4-nitrobenzyl)-pyridine. /Chemical Carcinogens/

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

ROASTING OF REFINED NICKEL ORES
By heating nickel above 400 deg C in presence of oxygen.
Green nickel oxide is prepared by firing a mixture of water and pure nickel powder in air at 1000 deg C or by firing a mixture of high purity nickel powder, nickel oxide, and water in air. The latter provides a more rapid reaction than the former method. Single whiskers of green nickel oxide have been made by the closed-tube transport method from oxide powder formed by the decomposition of nickel sulfate using hydrochloric acid as the transport gas. Green nickel oxide also is formed by thermal decomposition of nickel carbonate or nickel nitrate at 1000 deg C. /Green nickel oxide/
Black nickel oxide /is made by/ the calcination of /nickel/ carbonate and nitrate at 600 deg C. /Black nickel oxide/
U.S. Imports

(1972) 5.41X10+9 GRAMS
USA IMPORTS OF NICKEL OXIDE IN 1973 (MOSTLY FROM CANADA) WERE 5.84 MILLION KG.
(1975) 4.02X10+9 GRAMS (GROSS WT)
(1974) 5.8x10+9 grams
(1976) 5.4x10+9 grams
(1977) 4.2x10+9 grams
(1986) 1.57X10+6 lb
U.S. Production

(1970) LESS THAN 4.54X10+8 GRAMS
Consumption Patterns

(EXCLUDING SINTERS) 72% IS USED IN THE PRODUCTION OF NICKEL SULFATE; 13% FOR THE PRODUCTION OF CATALYSTS; 15% FOR ENAMEL FRITS AND ELECTRONIC DEVICES (1970)
In 1976, the USA consumption pattern for nickel oxide (representing 2.0x10+10 g contained nickel) is estimated to have been as follows: 60% for stainless and heat resisting steels, 27% for other steel alloys, 8% for other nickel alloys, 2% for cast irons, and 3% for other uses.
(1975) 1.35X10+10 GRAMS (CONSUMPTION)

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
Ten days after the inhalation of a nickel oxide aerosol, ... 80% of the deposited dose was still retained in the lung of hamsters.
Wistar male rats were exposed to green nickel oxide aerosols (mass media aerodynamic diameter, 0.6 um) for 7 hr/day, 5 days/wk for less than or equal to 12 mo. The avg exposure concn was controlled at 0.3 mg/cu m and 1.2 mg/cu m. Rats were sacrificed following a 3-6 or 12 mo exposure. There were no differences in body wt gain between exposure groups and controls. Lung wt in exposed rats were heavier than those in the control groups. Nickel concn in lung of exposure groups were much higher than those of controls. The nickel concn in liver, kidney, spleen, and blood increased slightly with increased exposure times. The nickel content in lung during the 12 mo exposure was estimated theoretically. The estimated values agreed with the experimental data.
SIGNIFICANT UPTAKE & ACCUM OCCURRED IN 20, 40, & 80 MG NI/L IN 96 HR EXPT. MUSSELS SECRETED BYSSAL THREADS IN CONCN OF 20 MG NI/L, BUT NOT IN HIGHER CONCN. [FRIEDRICH AR ET AL; BULL ENVIRON CONTAM TOXICOL 16 (6): 750 (1976)] PubMed Abstract
AFTER ACUTE OR CHRONIC EXPOSURE OF RATS ... BY INHALATION, INCR IN NI OCCUR PREDOMINANTLY IN MICROSOMAL & SUPERNATANT FRACTIONS OF LUNG & LIVER. AFTER CHRONIC EXPOSURE, INCR AMT OF NI ARE ALSO OBSERVED IN NUCLEAR & MITOCHONDRIAL FRACTION OF THE LUNG.
... Exposed Syrian golden hamsters to nickel oxide ... particles with a mass mean aerodynamic diameter (MMAD) of 1.0-2.5 um, and observed that inhalation of 2 days (7 hr/day) at a concn of 10-190 mg/m3 air resulted in deposition of 20% of the inhaled amt. On the 10th day of exposure, more than 75% of the nickel oxide was still present in the lungs, and, even after 45 days, approx 50% of the total amt inhaled still remained. As no significant quantities of nickel oxide were found in the liver and kidney at any time after exposure, absorption seemed to be negligible during this period.
When rats were exposed through inhalation to nickel oxide aerosol (0.4-70 mg/cu m) for 6-7 hr, 5 days/wk, for a max of 3 mo, the fraction deposited in the lung significantly decr with incr mass median diameter and slightly decr with incr exposure concn ... .
Following inhalation of high concn of nickel oxide (10-1290 mg/cu m) by hamsters (7 hr daily, repeated exposures for up to 3 mo), 20% of the inhaled amt of nickel oxide was still present in the lungs 3-4 days after exposure. Complete clearance of this oxide was estimated to take weeks to months; 75% of the nickel oxide was still present in the lungs 10 days after exposure and 40% was till present 100 days after exposure ... The lungs retained more than 99% of the nickel oxide deposited there. The liver and kidney retained small amt of 0.21 and 0.04%, respectively.
The toxicokinetics of inhaled nickel oxide and nickel subsulfide in Fischer-344/N-rats were investigated. Male rats were exposed nose only to 9.9mg/m3 nickel oxide or 5.7 mg/cu m nickel subsulfide for 70 or 120 minutes, respectively. Toxicokinetic parameters used were total and regional respiratory tract deposition of aerosols, lung clearance of deposits, distribution of the solubilized substances to other tissues, and nickel excretion pathways. Results showed that the fractions of inhaled nickel oxide and nickel subsulfide deposited in the respiratory tract were 0.11 and 0.13, respectively. For both aerosols, the fractions deposited in the lungs were 0.05. Clearance of nickel oxide from the lungs was slow, with a half time of about 120 days, and nickel oxide was excreted only in the feces during the first days after exposure. In contrast, nickel subsulfide was cleared rapidly from the lungs, with a half time of only about 4 days. In the case of nickel subsulfide, several other tissues (turbinates, skull, kidneys) showed its presence within the first few hours of exposure, and it was detectable in the lungs and kidneys up to 16 days postexposure. It was concluded that these two nickel compounds have different lung retention and tissue distribution patterns that appear related to the relative insolubility of nickel oxide and the solubility of nickel subsulfide.

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