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Substance Name: m-Chlorophenylacetic acid
RN: 1878-65-5
InChIKey: WFPMUFXQDKMVCO-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Synonyms

  • (m-Chlorophenyl)acetic acid
  • 3-Chlorobenzeneacetic acid
  • 3-Chlorophenylacetic acid
  • EINECS 217-520-0
  • NSC 87556

Systematic Names

  • Acetic acid, (m-chlorophenyl)- (8CI)
  • Benzeneacetic acid, 3-chloro-
  • Benzeneacetic acid, 3-chloro- (9CI)
  • m-Chlorophenylacetic acid

Registry Numbers

CAS Registry Number

  • 1878-65-5

System Generated Number

  • 0001878655

Structure Descriptors

InChI

1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

WFPMUFXQDKMVCO-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)Cl)CC(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78-79.5 deg C   EXP
pKa Dissociation Constant 4.14 (none) 25 EXP
log P (octanol-water) 2.09 (none)   EXP
Water Solubility 2490 mg/L 25 EST
Vapor Pressure 8.17E-04 mm Hg 25 EST
Henry's Law Constant 3.28E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.50E-12 cm3/molecule-sec 25 EST

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