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Substance Name: Benzoic acid, 3-bromo-, methyl ester
RN: 618-89-3
InChIKey: KMFJVYMFCAIRAN-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Br-O2

Molecular Weight

  • 215.045
 
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Names and Synonyms

Synonyms

  • 3-Bromobenzoic acid, methyl ester
  • Benzoic acid, m-bromo-, methyl ester
  • EINECS 210-569-9
  • Methyl 3-bromobenzoate
  • Methyl m-bromobenzoate
  • NSC 7319

Systematic Names

  • Benzoic acid, 3-bromo-, methyl ester
  • Methyl 3-bromobenzoate

Registry Numbers

CAS Registry Number

  • 618-89-3

System Generated Number

  • 0000618893

Structure Descriptors

InChI

1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

InChIKey

KMFJVYMFCAIRAN-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32 deg C   EXP
log P (octanol-water) 2.720 (none)   EST
Water Solubility 174 mg/L 25 EST
Vapor Pressure 0.025 mm Hg 25 EST
Henry's Law Constant 1.38E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.89E-13 cm3/molecule-sec 25 EST

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