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Sodium bromide

Athanor · official

BrNa · 102.89 g/mol

Inorganic
Open in Athanor
The structure of Sodium bromide
Drawn from its SMILES with RDKit
Harmful or irritantHealth hazardDangerCauses serious eye irritation · May cause drowsiness or dizziness · May damage fertility or the unborn child · Suspected of damaging fertility or the unborn child

Names and identifiers

IUPAC name
sodium bromide
Synonyms
Sedoneural, Bromide salt of sodium, Bromnatrium
+ 35 more

Trisodium tribromide, Sodium bromide (NaBr), NaBr, Caswell No. 750A, Natrum bromatum, DTXSID3034903, LC1V549NOM, NSC-77384, DTXCID1014903, CHEBI:63004, bromosodium, RefChem:6232, 231-599-9, sodium;bromide, Bromnatrium [German], HSDB 5039, Sodiumbromide, UNII-LC1V549NOM, EINECS 231-599-9, Sodium bromide [USP:JAN], NSC 77384, EPA Pesticide Chemical Code 013907, MFCD00003475, NSC 77384; Sanibrom 40, EC 231-599-9, BR1200, Sodium bromide anhydrous, Hydrobromic acid sodium salt, Sodium bromide [JAN], BrNa, Soudium Bromide, Sodium bromide (JP18), Sodium bromide, ultra dry, WLN: NA E, SODIUM BROMIDE, ACS

Molecular formula
BrNa
Empirical formula
BrNa
Molecular weight
102.89 g/mol
Exact mass
101.90811
CAS number
7647-15-6
PubChem CID
253881
Canonical SMILES
[Na+].[Br-]
Isomeric SMILES
[Na+].[Br-]
InChI
InChI=1S/BrH.Na/h1H;/q;+1/p-1
InChIKey
JHJLBTNAGRQEKS-UHFFFAOYSA-M
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
Dry Powder; Liquid; Liquid; Dry Powder; Other Solid[1]
Melting point
747 °C[3]
Boiling point
1390 °C[2]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
1390 °Cshown1390 °C[2] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1139
1390 °C1390 °C @760 [mm Hg][3] PAC Chemical Database, U.S. Department of Energy
Density
3.21 @25 °C[3]
Solubility in water
Moderately soluble in alcohol[2]

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 (Ų)
0
Formal charge
0
Complexity
2 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
Kh of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • Br77.66%
  • Na22.34%

Isotope pattern

100%101.90897%103.906

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
-5.99 Crippen (Wildman and Crippen 1999)
log S (water solubility)
3.3 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: 102.89
  • log P ≤ 5 (Crippen): -5.99
  • 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: 831 company reports to ECHA. Source [4].

  • Harmful or irritant
  • Health hazard
  • H319Causes serious eye irritation (11% of reports)
  • H336May cause drowsiness or dizziness (10.7% of reports)
  • H360May damage fertility or the unborn child (53.2% of reports)
  • H361Suspected of damaging fertility or the unborn child (10.7% of reports)

Precautionary statements: P203, P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P403+P233, P405, P501

View all classifications (2)
  • [4] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 22.6% (188 of 831) of reports.
  • [4] European Chemicals Agency (ECHA) · 831 reports · DangerH319, H336, H360, H361

Incompatibilities

  • Incompatible with acids, alkaloidal and heavy metal salts.[2]
  • The following salts are rapidly attacked by bromine trifluoride: ... Sodium bromide ...[2]

Safety data sheets on the supplier’s page: MolCore, Thermo Fisher Scientific, Shenghe Chemical.

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

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  2. [2]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  3. [3]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  4. [4]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  5. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  6. ·Literature on PubChem

Data last updated 2026-10-14.