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Substance Name: 3-Bromobenzoic acid
RN: 585-76-2
UNII: 7DCT3A73LX
InChIKey: VOIZNVUXCQLQHS-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Br-O2

Molecular Weight

  • 201.018
 
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Names and Synonyms

Name of Substance

  • 3-Bromobenzoic acid

Synonyms

  • 3-Bromobenzoic acid
  • AI3-08854
  • EINECS 209-562-3
  • m-Bromobenzoic acid
  • NSC 32739
  • NSC 3980
  • UNII-7DCT3A73LX

Systematic Names

  • 3-Bromobenzoic acid
  • Benzoic acid, 3-bromo-
  • Benzoic acid, m-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 585-76-2

FDA UNII

  • 7DCT3A73LX

System Generated Number

  • 0000585762

Structure Descriptors

InChI

1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

VOIZNVUXCQLQHS-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)Br)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 155 deg C   EXP
Boiling Point > 280 deg C   EXP
pKa Dissociation Constant 3.81 (none) 20 EXP
log P (octanol-water) 2.87 (none)   EXP
Water Solubility 402 mg/L 25 EXP
Henry's Law Constant 4.32E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.55E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.