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Substance Name: 2-(4'-Chlorobenzoyl)benzoic acid
RN: 85-56-3
UNII: 3U7W4YOY3R
InChIKey: YWECCEXWKFHHQJ-UHFFFAOYSA-N

Molecular Formula

  • C14-H9-Cl-O3

Molecular Weight

  • 260.675
 
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Names and Synonyms

Name of Substance

  • 2-(4'-Chlorobenzoyl)benzoic acid

Synonyms

  • 2-(4-Chlorobenzoyl)benzoic acid
  • 2-(p-Chlorobenzoyl)benzoic acid
  • AI3-15224
  • EINECS 201-615-9
  • NSC 7825
  • o-(4-Chlorobenzoyl)benzoic acid
  • o-(p-Chlorobenzoyl)benzoic acid
  • UNII-3U7W4YOY3R

Systematic Names

  • 2-(4-Chlorobenzoyl)benzoic acid
  • Benzoic acid, 2-(4-chlorobenzoyl)-
  • Benzoic acid, o-(p-chlorobenzoyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 85-56-3

FDA UNII

  • 3U7W4YOY3R

System Generated Number

  • 0000085563

Structure Descriptors

InChI

1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)

InChIKey

YWECCEXWKFHHQJ-UHFFFAOYSA-N

Smiles

O=C(O)c1c(cccc1)C(=O)c1ccc(cc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.330 (none)   EST
Water Solubility 500 mg/L 20 EXP
Atmospheric OH Rate Constant 2.26E-12 cm3/molecule-sec 25 EST

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