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Substance Name: Benzoic acid, 4-(bromomethyl)-
RN: 6232-88-8
InChIKey: CQQSQBRPAJSTFB-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Br-O2

Molecular Weight

  • 215.045
 
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Names and Synonyms

Synonyms

  • 4-Bromomethylbenzoic acid
  • alpha-Bromo-p-toluic acid
  • EINECS 228-343-3
  • NSC 56891
  • p-(Bromomethyl)benzoic acid
  • p-Toluic acid, alpha-bromo-

Systematic Names

  • alpha-Bromotoluic acid
  • Benzoic acid, 4-(bromomethyl)-

Registry Numbers

CAS Registry Number

  • 6232-88-8

System Generated Number

  • 0006232888

Structure Descriptors

InChI

1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

CQQSQBRPAJSTFB-UHFFFAOYSA-N

Smiles

c1(ccc(CBr)cc1)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 228-232 deg C   EXP
log P (octanol-water) 2.770 (none)   EST
Water Solubility 159 mg/L 25 EST
Vapor Pressure 1.79E-04 mm Hg 25 EST
Henry's Law Constant 1.38E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.53E-12 cm3/molecule-sec 25 EST

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