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Substance Name: Methyl 4-bromobenzoate
RN: 619-42-1
UNII: UB1YSJ5XAR
InChIKey: CZNGTXVOZOWWKM-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Br-O2

Molecular Weight

  • 215.045
 
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Names and Synonyms

Name of Substance

  • Methyl 4-bromobenzoate

Synonyms

  • EINECS 210-596-6
  • Methyl 4-bromobenzoate
  • Methyl p-bromobenzoate
  • NSC 9392
  • p-Bromobenzoic acid, methyl ester
  • UNII-UB1YSJ5XAR

Systematic Names

  • Benzoic acid, 4-bromo-, methyl ester
  • Benzoic acid, p-bromo-, methyl ester (8CI)
  • Methyl 4-bromobenzoate

Registry Numbers

CAS Registry Number

  • 619-42-1

FDA UNII

  • UB1YSJ5XAR

System Generated Number

  • 0000619421

Structure Descriptors

InChI

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

InChIKey

CZNGTXVOZOWWKM-UHFFFAOYSA-N

Smiles

c1(ccc(Br)cc1)C(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 81 deg C   EXP
log P (octanol-water) 2.95 (none)   EXP
Water Solubility 111 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 6.12E-13 cm3/molecule-sec 25 EST

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