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Home> Encyclopedia >Borate>Pharmaceutical Intermediates>Inorganic Acids
Sodium tetraborate decahydrate structure
Sodium tetraborate decahydrate structure

Sodium tetraborate decahydrate

Iupac Name:disodium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane;decahydrate
CAS No.: 1303-96-4
Molecular Weight:234.33398
Modify Date.: 2022-11-10 22:41
Introduction: Sodium tetraborate decahydrate also known as Borax, sodium borate, sodium tetraborate, or disodium tetraborate is a naturally occurring compound.It is mostly used as a cleaning aid especially for laundry (softening the water). As a cleaning aid, borax is also used as dishwasher detergent, as floor and wall cleaner, and to clean outdoor furniture, toilet, porcelain sinks, stains from stainless steel. Borax can be used for parasite control to keep ants, water bugs, and cockroaches away and help dogs with mange and people with a variety of parasite problems including lice and mites. Due to its alkalinity and antifungal properties, Borax is used in hair care products to heal chronic and embarrassing scalp conditions. Borax is also used as a remedy for health problems (arthritis, osteoporosis, bone spurs, calcium deposits, lupus, autoimmune disease, hormone imbalances, fungus, candida, ringworm, tinea versicolor, insomnia, rough skin). Furthermore, Borax is applied as a fire retardant, as a flux in metallurgy, as a precursor for other boron compounds, as anti-fungal compound for fiberglass and cellulose insulation, to make buffer solutions in biochemistry, and to make indelible ink for dip pens by dissolving shellac into heated borax. View more+
1. Names and Identifiers
1.1 Name
Sodium tetraborate decahydrate
1.2 Synonyms

2,4,6,8,9-Pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane-3,7-diolate, sodium salt, hydrate (1:2:10) antipyonin antipyonin[qr] borascu BORAX BORAX DECAHYDRATE Borax decahydrate,Sodium borate decahydrate Borax,Sodium tetraborate,decahydrate,sodium borate, decahydrate,antipyonin,borascu BoraxAr BoraxBp BoraxNf Boric acid sodium decahydrate boricin bura disodium tetraborate disodium tetraborate decahydrate EINECS 215-540-4 jaikin MFCD00149193 neobor Sodium bicyclo[3.3.1]tetraboroxane-3,7-diolate hydrate (2:1:10) SODIUM BORATE DECAHYDRATE SODIUM TETRABORATE DECAHYDRATE BIOXT sodium tetrabotare solubor SWABS 10ML PEPTON FYSIOLOG. SALINE SOL.

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1.3 CAS No.
1303-96-4
1.4 CID
16211214
1.5 EINECS(EC#)
215-540-4
1.6 Molecular Formula
B4H20Na2O17 (isomer)
1.7 Inchi
InChI=1S/B4O7.2Na.10H2O/c5-1-7-3-9-2(6)10-4(8-1)11-3;;;;;;;;;;;;/h;;;10*1H2/q-2;2*+1;;;;;;;;;;
1.8 InChIkey
CDMADVZSLOHIFP-UHFFFAOYSA-N
1.9 Canonical Smiles
B1(OB2OB(OB(O1)O2)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
1.10 Isomers Smiles
B1(OB2OB(OB(O1)O2)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
2. Properties
2.1 Density
1.73
2.1 Melting point
75℃
2.1 Boiling point
320℃
2.1 Refractive index
Index of refraction: 1.447 (alpha); 1.469 (beta); 1.472 (gamma)
2.1 Flash Point
°C
2.1 Precise Quality
382.08700
2.1 PSA
184.57000
2.1 logP
-2.74580
2.1 Solubility
60 g/L (20 oC)
2.2 Appearance
Colourless to grey-white crystals or powder
2.3 Storage
Sodium borate should be stored in a well-closed container in a cool,dry, place.
2.4 Carcinogenicity
Sodium borate tested negatively in theAmes bioassay but was found to be cytotoxic tocultured human fibroblasts.
2.5 Chemical Properties
White cryst. powder
2.6 Color/Form
White, gray, bluish or greenish white streaked
2.7 Corrosivity
Solutions are not a corrosion hazard to ferrous metals.
2.8 Decomposition
When heated to decomposition it emits toxic fumes of /sodium oxide and boron/.
2.9 Odor
Odorless
2.10 PH
pH at 20 °C: 9.3 (0.1% solution); 9.2 (1.0% solution)
2.11 Water Solubility
60 G/L (20 oC)
2.12 Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
2.13 StorageTemp
2-8°C
3. Use and Manufacturing
3.1 Potential Exposure
Borax is used as a soldering flux,preservative against wood fungus; and as an antiseptic.Used in ant poisons, for fly control around refuse andmanure piles, as a larvicide. It is used in the manufactureof enamels and glazes, fiberglass insulation; sodium perboratebleach; in tanning, cleaning compounds; for fireproofingfabrics and wood; and in artificial aging ofwood.
3.2 Produe Method
Sodium borate can be prepared from minerals such as borosodiumcalcite, pandermite, or tinkal; these are natural sodium or calciumborates. Treatment of the mineral with sodium carbonate andsodium hydrogencarbonate yields the sodium borate decahydrate.In the USA, brine from salt lakes is also an important source ofsodium borate.
3.3 Purification Methods
Crystallise the borate from water (3.3mL/g), keeping below 55o to avoid formation of the pentahydrate. Filter it off at the pump, wash it with water and equilibrate it for several days in a desiccator containing an aqueous solution saturated with respect to sucrose and NaCl. Borax can be prepared more quickly (but its water content is somewhat variable) by washing the recrystallised material at the pump with water, followed by 95% EtOH, then Et2O, and dried in air at room temperature for 12-18hours on a clock glass. [Becher in Handbook of Preparative Inorganic Chemistry (Ed. Brauer) Academic Press Vol I pp 794-795 1963.]
3.4 Usage
A natural, colorless salt crystal found in some lake beds. Itis soluble in water and glycerin but not in alcohol. Whenmixed with water, it produces a slight alkaline reaction. Itsuse in photography was principally as a pH modifier ingold toning baths, but it was also used as a restrainer in pyrogallicacid developers and as an accelerator in hydroquinonedevelopers.
3.5 Waste Disposal
Borax, dehydrated: The materialis diluted to the recommended provisional limit(0.10 mg/L) in water. The pH is adjusted to between 6.5and 9.1 and then the material can be discharged into sewersor natural streams.
4. Safety and Handling
4.1 Symbol
GHS08
4.1 Hazard Codes
Xn
4.1 Signal Word
Danger
4.1 Risk Statements
R62
4.1 Safety Statements
S36/37
4.1 Packing Group
II
4.1 Hazard Class
3
4.1 Hazard Declaration
H360FD
4.1 RIDADR
UN 1458
4.1 Safety Profile
Experimental poison by subcutaneous route. Moderately toxic to humans by ingestion. Moderately toxic experimentally by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. Ingestion of 5-10 g of borax by children can cause severe vomiting, diarrhea, shock, death. Incompatible with acids, metallic salts. When heated to decomposition it emits toxic fumes of Na2O, boron. See also BORON COMPOUNDS. Used in ant poisons, for fly control around refuse and manure piles, as a larvicide, in manufacture of glazes, enamels, cleaning compounds, and in soldering metals.
4.2 Caution Statement
P201-P280-P308 + P313
4.2 Incompatibilities
Dissolves in water forming a basic solution.Boron dust may form explosive mixture with air.Contact with strong oxidizers may be violent. Boron isincompatible with ammonia, bromine tetrafluoride, cesiumcarbide, chlorine, fluorine, interhalogens, iodic acid, leaddioxide, nitric acid, nitric oxide, nitrosyl fluoride, nitrousoxide, potassium nitrite, rubidium carbide, silver fluoride.
4.3 WGK Germany
1
4.3 RTECS
VZ2275000
4.3 Safety

Hazard Codes?of Borax (CAS NO.1303-96-4):?HarmfulXn
Risk Statements: 62?
R62: Risk of impaired fertility.
Safety Statements: 22-24/25-36/37?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S36/37: Wear suitable protective clothing and gloves.
RIDADR: UN 1458
WGK Germany: 1
RTECS: VZ2275000
HS Code: 28401990
Hazardous Substances Data: 1303-96-4(Hazardous Substances Data)

4.4 Specification

?Synonyms of?Borax (CAS NO.1303-96-4) are Borax (B4Na2O7.10H2O) ;?Borax (Na2(B4O7).10H2O) ;?Sodium borate, decahydrate ;?Sodium tetraborate decahydrate ;?Borates, tetra, sodium salts, decahydrate ;?Sodium borate ;?Sodium tetraborate

4.5 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 3gm/kg (3000mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
guinea pig LD50 oral 5330mg/kg (5330mg/kg) ? "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.
infant LDLo oral 1gm/kg (1000mg/kg) ? Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 144, 1966.
man LDLo oral 709mg/kg (709mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: CHANGE IN RATE

GASTROINTESTINAL: NAUSEA OR VOMITING
JAMA, Journal of the American Medical Association. Vol. 76, Pg. 378, 1921.
mouse LD50 intraperitoneal 2711mg/kg (2711mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 143, Pg. 144, 1963.
mouse LD50 intravenous 1320mg/kg (1320mg/kg) ? "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.
mouse LD50 oral 2gm/kg (2000mg/kg) ? "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.
rabbit LDLo subcutaneous 150mg/kg (150mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 oral 2660mg/kg (2660mg/kg) ? Farm Chemicals Handbook. Vol. -, Pg. C48, 1991.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Merck
14,8590
6.1 Description
Sodium tetraborate decahydrate also known as Borax, sodium borate, sodium tetraborate, or disodium tetraborate is a naturally occurring compound.
It is mostly used as a cleaning aid especially for laundry (softening the water). As a cleaning aid, borax is also used as dishwasher detergent, as floor and wall cleaner, and to clean outdoor furniture, toilet, porcelain sinks, stains from stainless steel. Borax can be used for parasite control to keep ants, water bugs, and cockroaches away and help dogs with mange and people with a variety of parasite problems including lice and mites. Due to its alkalinity and antifungal properties, Borax is used in hair care products to heal chronic and embarrassing scalp conditions. Borax is also used as a remedy for health problems (arthritis, osteoporosis, bone spurs, calcium deposits, lupus, autoimmune disease, hormone imbalances, fungus, candida, ringworm, tinea versicolor, insomnia, rough skin). Furthermore, Borax is applied as a fire retardant, as a flux in metallurgy, as a precursor for other boron compounds, as anti-fungal compound for fiberglass and cellulose insulation, to make buffer solutions in biochemistry, and to make indelible ink for dip pens by dissolving shellac into heated borax.
View all
6.2 References
[1] https://www.earthclinic.com/remedies/borax.html
[2] http://www.cqconcepts.com/chem_sodiumborate.php
[3] http://www.usesfor.net/uses-for-borax.html
6.3 Chemical Properties
White cryst. powder
6.4 Chemical Properties
Borax is a noncombustible (an inherent fire retardant), bluish-gray or green, odorless crystalline powder or granules.
6.5 Chemical Properties
Sodium borate occurs as white, hard crystals, granules, or crystalline powder. It is odorless and efflorescent.
6.6 Uses
A natural, colorless salt crystal found in some lake beds. It is soluble in water and glycerin but not in alcohol. When mixed with water, it produces a slight alkaline reaction. Its use in photography was principally as a pH modifier in gold toning baths, but it was also used as a restrainer in pyrogallic acid developers and as an accelerator in hydroquinone developers.
6.7 Uses
metabolite
6.8 Uses
Buffers; complexing or masking agent.
6.9 Uses
Soldering metals; manufacture of glazes and enamels; tanning; in the production of adhesives and in anticorrosion systems; in cleaning Compounds; artificially aging wood; as preservative, either alone or with other antiseptics against wood fungus; fireproofing fabrics and wood; curing and preserving skins; in cockroach control. Pharmaceutic aid (alkalizer).
6.10 Production Methods
Sodium borate can be prepared from minerals such as borosodium calcite, pandermite, or tinkal; these are natural sodium or calcium borates. Treatment of the mineral with sodium carbonate and sodium hydrogencarbonate yields the sodium borate decahydrate. In the USA, brine from salt lakes is also an important source of sodium borate.
6.11 Hazard
Toxic by inhalation.
6.12 Pharmaceutical Applications
Sodium borate is used in pharmaceutical applications similarly to boric acid (see Boric Acid). It has been used externally as a mild astringent and as an emulsifying agent in creams. It has also been used in lozenges, mouthwashes, otic preparations (0.3% w/v), and ophthalmic solutions (0.03–1.0% w/v). Sodium borate has additionally been investigated in the prevention of crystal formation in freeze-dried solutions.
Preparations of sodium borate in honey have historically been used as paints for the throat, tongue, and mouth, but such use is now inadvisable because of concerns about toxicity in such applications. Sodium borate is also used in cosmetics such as moisturizers, deodorants, and shampoos.
6.13 Agricultural Uses
Borate is a salt of boric acid (H3BO3). There are two known types of borates - orthoborate and metaborate which are used as fertilizers. Besides these, polyborates, boric acid, calcium polyborate (colemanite), sodium tetraborate, solubor and complex borosilicate (boron frits) are also used as fertilizers to reduce boron deficiency. Borate minerals like kernite and tincal are the main sources of borax.
Borax, a source of boron, is the salt of boric acid, sodium hydroxide and sodium carbonate. Borax, otherwise called disodium tetraborate decahydrate(Na2B4O7·10H2O)is a water-soluble white compound. It occurs as a mineral in some alkaline salt deposits. The main sources of borax are borate minerals, kernite(Na2B4·4H2O),a sorite and heal(Na2B4O7·10H2O)which are purified by recrystallization. On treatment with an acid, borax gives boric acid which is absorbed as boron by plants. Borax contains 10.5 to 11.4% boron or 36.5% boric oxide (B2O3).
Borax is a supplier of micronutrient boron for plants and is applied as such or as a foliar spray. Solubor is preferred to borax for its greater solubility and because it causes minimum changes in the crystallization temperature.
Borax is a very important substance in other industries too. It is used as a metallurgical flux in glass and ceramic industries, a buffer, a mild alkaline antiseptic and a source of boron compounds.
View all
6.14 Agricultural Uses
Solubor is a type of borate containing 20.3% boron. It is chemically a polyborate, similar to borax, and is represented as Na2B2O7?5H2O +Na2B10O16?10H2O. is a finely-ground, white product specially designed for foliar, liquid or dust applications, to correct boron deficiency.
6.15 Safety Profile
Experimental poison by subcutaneous route. Moderately toxic to humans by ingestion. Moderately toxic experimentally by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. Ingestion of 5-10 g of borax by children can cause severe vomiting, diarrhea, shock, death. Incompatible with acids, metallic salts. When heated to decomposition it emits toxic fumes of Na2O, boron. See also BORON COMPOUNDS. Used in ant poisons, for fly control around refuse and manure piles, as a larvicide, in manufacture of glazes, enamels, cleaning compounds, and in soldering metals.
6.16 Safety
Sodium borate has weak bacteriostatic and astringent properties. Historically, sodium borate has been used as a disinfectant in skin lotions and eye-, nose-, and mouthwashes. However, boric acid is easily absorbed via mucous membranes and damaged skin, and severe toxicity has been observed, especially in babies and children. Consequently, the use of sodium borate as a disinfectant is now considered somewhat obsolete and careful use is recommended. The toxic effects of sodium borate include vomiting, diarrhea, erythema, CNS depression, and kidney damage. The lethal oral intake is approximately 20 g in adults and 5 g in children.
LD50 (guinea pig, oral): 5.33 g/kg
LD50 (mouse, IP): 2.711 g/kg
LD50 (mouse, IV): 1.320 g/kg
LD50 (mouse, oral): 2.0 g/kg
LD50 (rat, oral): 2.66 g/kg
6.17 Potential Exposure
Borax is used as a soldering flux, preservative against wood fungus; and as an antiseptic. Used in ant poisons, for fly control around refuse and manure piles, as a larvicide. It is used in the manufacture of enamels and glazes, fiberglass insulation; sodium perborate bleach; in tanning, cleaning compounds; for fireproofing fabrics and wood; and in artificial aging of wood.
6.18 First aid
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Personal Protective Methods: Exposed workers should be educated in the proper use of protective equipment and there should be strict adherence to ventilating provisions in work areas. Workers involved with the manufacture of boric acid should be provided with masks to prevent inhalation of dust and fumes.
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6.19 storage
Sodium borate should be stored in a well-closed container in a cool, dry, place.
6.20 Shipping
UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9—Miscellaneous hazardous material, Technical Name Required.
6.21 Purification Methods
Crystallise the borate from water (3.3mL/g), keeping below 55o to avoid formation of the pentahydrate. Filter it off at the pump, wash it with water and equilibrate it for several days in a desiccator containing an aqueous solution saturated with respect to sucrose and NaCl. Borax can be prepared more quickly (but its water content is somewhat variable) by washing the recrystallised material at the pump with water, followed by 95% EtOH, then Et2O, and dried in air at room temperature for 12-18hours on a clock glass. [Becher in Handbook of Preparative Inorganic Chemistry (Ed. Brauer) Academic Press Vol I pp 794-795 1963.]
6.22 Incompatibilities
Dissolves in water forming a basic solution. Boron dust may form explosive mixture with air. Contact with strong oxidizers may be violent. Boron is incompatible with ammonia, bromine tetrafluoride, cesium carbide, chlorine, fluorine, interhalogens, iodic acid, lead dioxide, nitric acid, nitric oxide, nitrosyl fluoride, nitrous oxide, potassium nitrite, rubidium carbide, silver fluoride.
6.23 Incompatibilities
Sodium borate is incompatible with acids and with metallic and alkaloidal salts.
6.24 Waste Disposal
Borax, dehydrated: The material is diluted to the recommended provisional limit (0.10 mg/L) in water. The pH is adjusted to between 6.5 and 9.1 and then the material can be discharged into sewers or natural streams.
6.25 Regulatory Status
Accepted for use as a food additive in Europe. Included in the FDA Inactive Ingredients Database (otic preparations; ophthalmic solutions and suspensions). Included in nonparenteral medicines licensed in the UK, Italy, France, Germany, and Japan. Included in the Canadian List of Acceptable Non-medicinal Ingredients.
6.26 Usage
It is used in detergents, cosmetics, and enamel glazes. It is likewise employed to prepare buffer solutions in biochemistry, as a fire retardant, anti-fungal compound, in the manufacture of fiberglass, as a flux in metallurgy, neutron-capture shields for radioactive sources, a texturing agent in cooking, and as a harbinger for other boron compounds. The molten borax bath is useful for carbide coating process on metals. It is applied as an efficient metal-free catalyst for Hetero-Michael reactions in an aqueous medium.
6.27 Physical properties
White monoclinic crystal; density 1.73 g/cm3; decomposes at 75°C; soluble in water; the vapor pressure of the pure compound 1.6 torr at 20°C and that of a saturated solution 130 torr at 58°C; the pH of a 1% aqueous solution 9.24 (the pH is nearly independent of concentration); readily dissolves in alcohols.
6.28 Occurrence
Borax decahydrate occurs in nature as mineral, borax (tincal). It is one of the most common sodium borate ores. The compound has several industrial applications. The refined material is mostly used in household cleaning products. It is used to make pyrex and other borosilicate glasses. Borax is added to fertilizers in small quantities as a source of boron, as a trace nutrient for plants. High purity grade borax is used in cosmetics, toilet products and electrolytic capacitors. It also is used in fire retardants, adhesives and herbicides.
6.29 Uses
Sodium Tetraborate Decahydrate is used as a buffer in antigetn-retrieval procedure for bromodeoxyuridine immunolabeling with concurrent labeling of nuclear DNA and antigens damaged by hydrochloric acid pretreatment.
6.30 Health Hazard
Borates are irritants of the eyes, nose, and throat; at high concentrations ingestion of the compounds can result in gastrointestinal irritation, kidney injury, and even death from central nervous system depression or cardiovascular collapse.
6.31 Agricultural Uses
Borate is a salt of boric acid (H3BO3). There are two known types of borates - orthoborate and metaborate which are used as fertilizers. Besides these, polyborates, boric acid, calcium polyborate (colemanite), sodium tetraborate, solubor and complex borosilicate (boron frits) are also used as fertilizers to reduce boron deficiency. Borate minerals like kernite and tincal are the main sources of borax.
Borax, a source of boron, is the salt of boric acid, sodium hydroxide and sodium carbonate. Borax, otherwise called disodium tetraborate decahydrate(Na2B4O7·10H2O)is a water-soluble white compound. It occurs as a mineral in some alkaline salt deposits. The main sources of borax are borate minerals, kernite(Na2B4·4H2O),a sorite and heal(Na2B4O7·10H2O)which are purified by recrystallization. On treatment with an acid, borax gives boric acid which is absorbed as boron by plants. Borax contains 10.5 to 11.4% boron or 36.5% boric oxide (B2O3).
Borax is a supplier of micronutrient boron for plants and is applied as such or as a foliar spray. Solubor is preferred to borax for its greater solubility and because it causes minimum changes in the crystallization temperature.
Borax is a very important substance in other industries too. It is used as a metallurgical flux in glass and ceramic industries, a buffer, a mild alkaline antiseptic and a source of boron compounds.
View all
6.32 Carcinogenicity
Sodium borate tested negatively in the Ames bioassay but was found to be cytotoxic to cultured human fibroblasts.
7. Computational chemical data
  • Molecular Weight: 234.33398g/mol
  • Molecular Formula: B4H20Na2O17
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 382.0868084
  • Monoisotopic Mass: 382.0868084
  • Complexity: 121
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 17
  • Topological Polar Surface Area: 102
  • Heavy Atom Count: 23
  • 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: 13
  • CACTVS Substructure Key Fingerprint: AAADceOAPjAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAASAAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Question & Answer
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10. Realated Product Infomation