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Barium chloride dihydrate structure
Barium chloride dihydrate structure

Barium chloride dihydrate

Iupac Name:barium(2+);dichloride;dihydrate
CAS No.: 10326-27-9
Molecular Weight:244.26
Modify Date.: 2022-12-16 06:35
Introduction: Barium chloride dihydrate is recrystallized from the water solutions of barium chloride. Barium chloride is used for the test of sulfate ions, for making pigment, for the purification of brine solution, in the manufacture of heat treating bath, and in the fireworks for green color. Barium Chloride is also used to set up porcelain enamels for sheet steel and to produce blanc fixe. Together with various matrices, barium chloride is used to fabricate novel ammonia sorbents for adsorptive heat transformation. Furthermore, barium chloride is used to modify the microstructure of polyvinyl alcohol (PVA) polymer films which have rich variety of applications. View more+
1. Names and Identifiers
1.1 Name
Barium chloride dihydrate
1.2 Synonyms

BARIUM (II) CHLORIDE, HYDROUS BARIUM CHLORIDE BARIUM CHLORIDE 2H2O Barium Chloride 99.9 Barium chloride hydrate (1:2:2) Barium Chloride, Dihydrate, Crystal, Reagent BARIUM CHLORIDE,387N Barium Chloride,crystal Barium chloride,refined BARIUM CHLORIDE-2-HYDRATE BARIUMCHLORIDE,DIHYDRATE,CRYSTAL,REAGENT,ACS BARIUMCHLORIDE,DIHYDRATE,PURIFIED BariumChlorideAr BariumChlorideGr Bariumdichloridedihydrate Cough. Sore throat. See Ingestion. Redness. Redness. EINECS 233-788-1 HYDROCHLORIC ACID BARIUM SALT DIHYDRATE MFCD00149154

1.3 CAS No.
10326-27-9
1.4 CID
5284346
1.5 EINECS(EC#)
600-412-6
1.6 Molecular Formula
BaCl2H4O2 (isomer)
1.7 Inchi
InChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
1.8 InChkey
PWHCIQQGOQTFAE-UHFFFAOYSA-L
1.9 Canonical Smiles
O.O.Cl[Ba]Cl
1.10 Isomers Smiles
O.O.[Cl-].[Cl-].[Ba+2]
2. Properties
2.1 Density
3.86
2.1 Melting point
962 °C
2.1 Boiling point
1560 °C
2.1 Refractive index
1.635
2.1 Precise Quality
243.86400
2.1 PSA
18.46000
2.1 logP
1.25040
2.1 Appearance
White crystalline powder
2.2 Storage
Barium chloride should be kept stored in a tightly closed container. Protect from physi-cal damage. Store in a cool, dry, ventilated area away from sources of heat, moisture, and incompatibilities. Containers of this material may be hazardous when empty since they retain product residues (dust, solids); observe all warnings and precautions listed for the product.
2.3 Chemical Properties
Barium chloride is a white/colorless solid, stable under ordinary conditions of use and storage. It is incompat ible with bromine tril uoride, 2-furan percarboxylic acid (anhydrous).
2.4 Color/Form
White orthorhombic crystals
White solid.
2.5 PH
5.2-8.2 (25℃, 50mg/mL in H2O)
2.6 Water Solubility
Solubility in water, g/100ml at 26°C: 37.5 (good)
2.7 Stability
Stable.
2.8 StorageTemp
Store at +5°C to +30°C.
3. Use and Manufacturing
3.1 Definition
ChEBI: A hydrate that is the dihydrate form of barium chloride.
3.2 General Description
White crystalline solid with a bitter, salty taste.
3.3 Methods of Manufacturing
?
3.3 Purification Methods
It is crystallised twice from water (2mL/g) and dried in an oven to constant weight. The solubilities of the hydrate (% of anhydrous wt) in H2O are 31.6 at 0o, 35.7 at 20o and 58.7 at 100o.
3.4 Usage

Used in the purification of brine solution in caustic chlorine plants and also in the manufacture of heat treatment salts, case hardening of steel, and in the manufacture of pigments.

4. Safety and Handling
4.1 Symbol
GHS06
4.1 Hazard Codes
T
4.1 Signal Word
Danger
4.1 Risk Statements
20-25
4.1 Safety Statements
45
4.1 Packing Group
III
4.1 Fire Hazard
Flash point data for Barium chloride dihydrate are not available. Barium chloride dihydrate is probably combustible.
4.2 Other Preventative Measures
If employees' clothing has had any possibility of being contaminated with barium chloride ... or liq containing ... /this/ cmpd, employees should change into uncontaminated clothing before leaving the work premises. ... Clothing contaminated with barium chloride ... should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of contaminant from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the contaminant, the person performing the operation should be informed of contaminant's hazardous properties. ... Non-impervious clothing which becomes contaminated with barium chloride ... should be removed promptly and not reworn until the contaminant is removed from the clothing.
Skin that becomes contaminated with barium chloride ... should be promptly washed or showered to remove any contaminant.
Eating and smoking should not be permitted in areas where solid barium chloride ... or liq containing ... /this/ cmpd are handled, processed, or stored. Employees who handle barium chloride ... or liq containing ... /this/ cmpd should wash their hands thoroughly before eating, smoking, or using toilet facilities.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. All contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
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.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed or replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Do not use water.
Personnel protection: Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment.
4.3 Hazard Class
6.1
4.3 Hazard Declaration
H301-H332
4.3 DisposalMethods
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.
4.4 RIDADR
UN 1564 6.1/PG 3
4.4 Fire Fighting Procedures
If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.
4.5 Safety Profile
A poison by intraperitoneal route.When heated to decomposition it emits toxic vapors of Baand Cl-.
4.6 Caution Statement
Missing Phrase - N15.00950417-P261
4.6 Formulations/Preparations
ACS reagent grade
99.999% purity grade; -60 mesh, 99.9% purity grade; ACS reagent crystal grade
Grade: Technical (crystals or powdered), 99% crystals, powdered, chemically pure
4.7 WGK Germany
1
4.7 RTECS
CQ8751000
4.7 Protective Equipment and Clothing
Employees should be provided with and required to use impervious clothing, gloves, face shields (eight inch minimum), and other appropriate protective clothing necessary to prevent repeated or prolonged skin contact with barium chloride ... or liq containing ... /this/ cmpd. ... Employees should be provided with and required to use dust and splash proof safety goggles where barium chloride ... or liq containing ... /this/ cmpd may contact the eyes.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Recommendations for respirator selection. Max concn for use: 5 mg/cu m. Respirator Class(es): Any dust and mist respirator except single-use and quarter-mask respirators. Any supplied-air respirator.
Recommendations for respirator selection. Max concn for use: 12.5 mg/cu m. Respirator Class(es): Any supplied-air respirator operated in a continuous flow mode. Any powered, air-purifying respirator with a dust and mist filter.
Recommendations for respirator selection. Max concn for use: 25 mg/cu m. Respirator Class(es): Any air-purifying, full-facepiece respirator with a high-efficiency particulate filter. Any supplied-air respirator that has a tight-fitting facepiece and is operated in a continuous-flow mode. Any powered, air-purifying respirator with a tight-fitting facepiece and a high-efficiency particulate filter. Any self-contained breathing apparatus with a full facepiece. Any supplied-air respirator with a full facepiece.
Recommendations for respirator selection. Max concn for use: 50 mg/cu m. Respirator Class(es): Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Emergency or planned entry into unknown concn or IDLH conditions: Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator with a high-efficiency particulate filter. Any appropriate escape-type, self-contained breathing apparatus.
4.8 Reactivities and Incompatibilities
BROMINE TRIFLUORIDE RAPIDLY ATTACKS BARIUM CHLORIDE.
Acids, oxidizers.
Furan-2-percarboxylic acid explodes when heated to 30 to 40 deg C, or at room temperature upon addition of barium chloride.
4.9 Report

Reported in NTP Carcinogenesis studies (drinking); No Evidence: mouse, rat NTPTR* ?? National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-432 (1994). .

4.10 Safety

Hazard Codes:?ToxicT
Risk Statements: 20-25
R20:Harmful by inhalation.?
R25 :Toxic if swallowed.
Safety Statements: 45
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1564 6.1/PG 3
WGK Germany: 1
RTECS: CQ8751000
HazardClass: 6.1
PackingGroup: III
HS Code: 28273980

4.11 Specification

? Barium chloride dihydrate , with CAS number of 10326-27-9, can be called Barium chloride hydrate (1:2:2) ; Dichlorobarium dihydrate .

4.12 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 51mg/kg (51mg/kg) ? Toxicology and Applied Pharmacology. Vol. 63, Pg. 461, 1982.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Storage Conditions
?
6.1 Storage features
Separated from food and feedstuffs.
6.2 Fire Hazards
Not combustible. Gives off irritating or toxic fumes (or gases) in a fire.
6.3 Spillage Disposal
Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.
6.4 Inhalation Risk
Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
6.5 Effects Of Short Term Exposure
The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the nervous system. Exposure could cause hypokalaemia. This may result in cardiac disorders and muscular disorders. Exposure could cause death.
6.6 Exposure Prevention
PREVENT DISPERSION OF DUST! STRICT HYGIENE!
6.7 Inhalation Prevention
Use ventilation (not if powder), local exhaust or breathing protection.
6.8 Skin Prevention
Protective gloves.
6.9 Eye Pprevention
Wear safety spectacles or eye protection in combination with breathing protection.
6.10 First Aid
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.


Remove contaminated clothes. Rinse skin with plenty of water or shower.


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

6.11 Symptoms

Cough. Sore throat. See Ingestion.


Redness.


Redness.

6.12 Merck
14,971
6.13 Description
Barium chloride dihydrate is recrystallized from the water solutions of barium chloride. Barium chloride is used for the test of sulfate ions, for making pigment, for the purification of brine solution, in the manufacture of heat treating bath, and in the fireworks for green color. Barium Chloride is also used to set up porcelain enamels for sheet steel and to produce blanc fixe. Together with various matrices, barium chloride is used to fabricate novel ammonia sorbents for adsorptive heat transformation. Furthermore, barium chloride is used to modify the microstructure of polyvinyl alcohol (PVA) polymer films which have rich variety of applications.
6.14 Description
Barium chloride is a white/colourless solid and stable under ordinary conditions of use and storage. It is incompatible with bromine trifluoride and 2-furan percarboxylic acid (anhydrous).
6.15 Chemical Properties
Barium chloride is a white/colorless solid, stable under ordinary conditions of use and storage. It is incompat ible with bromine tril uoride, 2-furan percarboxylic acid (anhydrous).
6.16 Chemical Properties
White solid
6.17 Definition
ChEBI: A hydrate that is the dihydrate form of barium chloride.
6.18 General Description
White crystalline solid with a bitter, salty taste.
6.19 Air & Water Reactions
Water soluble.
6.20 Reactivity Profile
Barium chloride dihydrate may react violently with BrF3 and 2-furan percarboxylic acid in its anhydrous form.
6.21 Health Hazard
Exposures to barium chloride cause sore throat, coughing, and labored breathing, and become harmful and fatal if swallowed or inhaled. Prolonged exposures cause irritation to the skin, eyes, and respiratory tract, and involve the heart, respiratory system, and the CNS. An accidental ingestion of barium chloride causes severe gastroenteritis, abdomi- nal pain, vomiting, diarrhea, tremors, faintness, paralysis of arms and legs, and a slow or irregular heartbeat. In severe cases, barium chloride may cause collapse and death from respiratory failure.
6.22 Fire Hazard
Flash point data for Barium chloride dihydrate are not available. Barium chloride dihydrate is probably combustible.
6.23 storage
Barium chloride should be kept stored in a tightly closed container. Protect from physi- cal damage. Store in a cool, dry, ventilated area away from sources of heat, moisture, and incompatibilities. Containers of this material may be hazardous when empty since they retain product residues (dust, solids); observe all warnings and precautions listed for the product.
6.24 Purification Methods
It is crystallised twice from water (2mL/g) and dried in an oven to constant weight. The solubilities of the hydrate (% of anhydrous wt) in H2O are 31.6 at 0o, 35.7 at 20o and 58.7 at 100o.
6.25 Precautions
Occupational workers should be careful during handling of barium hydroxide. Workers should wear impervious protective clothing, including boots, gloves, laboratory coat, apron, or coveralls, as appropriate, to prevent skin contact. Workers should use chemical safety goggles or full-face shields. The workplace should maintain an eye-wash fountain and quick-drench facilities.
6.26 Safety Profile
A poison by intraperitoneal route.When heated to decomposition it emits toxic vapors of Baand Cl-.
6.27 Usage
Barium chloride dihydrate is mainly used in the purification of brine solution in caustic chlorine plants, as a reagent in the test for sulfate ion in chemical lab, and as a cleansing agent in the production of other barium chemicals and lubricating oil additives. It is used in the production of molecular sieves, pigments, and paper coatings, and serves as a precursor to fabricate the doped barium zirconate.
6.28 Usage
Barium chloride is usually employed as a chemical reagent to precipitate soluble sulfates and also in the purification of the seawater solution. It is practiced in several applications like heat-treating baths, waste water treatment, the production of PVC stabilizers, oil lubricants, fireworks materials, hardening of steel, in the manufacture of pigments and in the manufacture of other barium salts. It is applied to prepare composites to absorb ammonia and to increase the crystallinty of polymers.
6.29 Usage
It is mainly used in the purification of brine solution in caustic chlorine plants, as a reagent in the test for sulfate ion in chemical lab, and as a cleansing agent in the production of other barium chemicals and lubricating oil additives. It is used in the production of molecular sieves, pigments, and paper coatings, and serves as a precursor to fabricate the doped barium zirconate.
7. Computational chemical data
  • Molecular Weight: 244.26g/mol
  • Molecular Formula: BaCl2H4O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 243.864082
  • Monoisotopic Mass: 243.864082
  • Complexity: 0
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 2
  • Heavy Atom Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 5
  • CACTVS Substructure Key Fingerprint: AAADcYAAMAAGAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Question & Answer
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