Sodium borohydride

Athanor · official

BH₄Na · 37.84 g/mol

IUPAC name: sodium boranuide

Also called NaBH4, sodium tetrahydroborate

Inorganic Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerIn contact with water releases flammable gases which may ignite spontaneously · Toxic if swallowed · Toxic in contact with skin · Causes severe skin burns and eye damage · Causes serious eye damage · Harmful if inhaled · May damage fertility or the unborn child

Names and identifiers

IUPAC name: sodium boranuide
Synonyms: NaBH4, sodium tetrahydroborate, borohydrure de sodium
+ 36 more
DTXSID80893977, Sodium tetrahydridoborate(1-), Sodium borohydride (Na(BH4)), CHEBI:50985, RefChem:183807, DTXCID801324021, 241-004-4, 87L0B9CPPA, Borate(1-), tetrahydro-, sodium, BORATE(1-), TETRAHYDRO-, SODIUM (1:1), Borol, COLORSTRIP 2000, EC 241-004-4, EINECS 241-004-4, Hidkitex DF, HYDRIFIN, Sodium borohydrate, sodium borotritide, Sodium hydroborate, SODIUM TETRAHYDRIDOBORATE, SODIUM TETRAHYDROBORATE, Sodium tetrahydroborate(1-), UNII-87L0B9CPPA, sodiumborohydride, sodium;boranuide, Sodium borohydride solution, natriumborohydrid, sodium borohydrid, natrium borohydride, NaBH, sodium boro hydride, sodium borohydr-ide, sodium borohydride-, sodium- borohydride, sodium borohydri- de, SCHEMBL80
Molecular formula: BH₄Na
Empirical formula: BH₄Na
Molecular weight: 37.84 g/mol
Exact mass: 38.03037
CAS number: 16940-66-2
PubChem CID: 4311764
Canonical SMILES: [BH4-].[Na+]
Isomeric SMILES: [BH4-].[Na+]
InChI: InChI=1S/BH4.Na/h1H4;/q-1;+1
InChIKey: YOQDYZUWIQVZSF-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: White to gray-white microcystalline powder or lumps[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Sodium borohydride is a white to grayish crystalline powder. It is decomposed by water to form sodium hydroxide, a corrosive material, and hydrogen, a flammable gas. The heat of this reaction may be sufficient to ignite the hydrogen. The material itself is easily ignited and burns vigorously once ignited. It is used to make other chemicals, treat waste water, and for many other uses. [1] CAMEO Chemicals
– Dry Powder; Liquid; Dry Powder [2] EPA Chemical Data Reporting (CDR)
– WHITE CRYSTALLINE POWDER. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown White to gray-white microcystalline powder or lumps [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 3049
Melting point: >400 °C (vacuum) (decomposes)[4]
Density: 1.074 at 20 °C (68 °F) (USCG, 1999) - Denser than water[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
–shown 1.074 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– 1.07 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.07 @25 °C [5] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water, g/100ml at 25 °C: 55[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Soluble in "Cellosolve" ether [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 3233
– Soluble in ammonia, amines, pyridine, dimethyl ether of diethylene glycol; insoluble in other ethers, hydrocarbons, alkyl chlorides [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1011
–shown Solubility in water, g/100ml at 25 °C: 55 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: ~220 °C[3]

Value	As written	Source
–	Sodium borohydride is a white to grayish crystalline powder. It is decomposed by water to form sodium hydroxide, a corrosive material, and hydrogen, a flammable gas. The heat of this reaction may be sufficient to ignite the hydrogen. The material itself is easily ignited and burns vigorously once ignited. It is used to make other chemicals, treat waste water, and for many other uses.	[1] CAMEO Chemicals
–	Dry Powder; Liquid; Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	WHITE CRYSTALLINE POWDER.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	White to gray-white microcystalline powder or lumps	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 3049

Value	As written	Source
–shown	1.074 at 68 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	1.07 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.07 @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Soluble in "Cellosolve" ether	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 3233
–	Soluble in ammonia, amines, pyridine, dimethyl ether of diethylene glycol; insoluble in other ethers, hydrocarbons, alkyl chlorides	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1011
–shown	Solubility in water, g/100ml at 25 °C: 55	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 2
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 0 computed here · PubChem 1
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
Complexity: 2 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Td of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

H10.66%
B28.58%
Na60.77%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -4.45 Crippen (Wildman and Crippen 1999)
log S (water solubility): 2.73 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 8.49 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 37.83
log P ≤ 5 (Crippen): -4.45
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 671 company reports to ECHA. Source [6].

Flammable
Corrosive
Acute toxicity
Harmful or irritant
Health hazard

H260In contact with water releases flammable gases which may ignite spontaneously (86.7% of reports)
H301Toxic if swallowed (99.6% of reports)
H311Toxic in contact with skin (23% of reports)
H314Causes severe skin burns and eye damage (99.6% of reports)
H318Causes serious eye damage (71.4% of reports)
H332Harmful if inhaled (16.7% of reports)
H360May damage fertility or the unborn child (43.7% of reports)

Precautionary statements: P203, P223, P231+P232, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P361+P364, P363, P370+P378, P402+P404, P405, P501

View all classifications (2)

[6] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.4% (3 of 671) of reports.
[6] European Chemicals Agency (ECHA) · 671 reports · DangerH260, H301, H311, H314, H318, H332, H360

First aid

Ingestion: Do NOT induce vomiting; give dilute vinegar, lemon juice, milk, or olive oil; call a doctor. SKIN AND eyes: Flood with large amount of water. (USCG, 1999)[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[7]
Fresh air, rest. Refer immediately for medical attention.[3]
First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer for medical attention .[3]

Storage

Dry. Well closed. Separated from strong acids, alcohols, powdered metals and water.[3]
Storage temperature: Ambient. Venting: Sealed containers must be stored in well-ventilated area.[4]

Incompatibilities

Reacts with water or steam to produce hydrogen.[4]
... On contact with acid fumes, it can emit flammable vapors.[4]
Dry mixtures with sodium hydroxide containing 15-40% of (sodium) tetrahydroborate liberate hydrogen explosively at 230-270 °C.[4]
Addition of a 4% solution of sodium tetrahydroborate in diglyme containing 0.09% of water to a 27% solution of aluminium chloride in the same solvent led to a violent explosion, attributed to formation and ignition of hydrogen.[4]

Safety data sheets on the supplier’s page: Aladdin Scientific, BroadPharm, J&H Chemical Co.,ltd.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.