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Substance Name: Acetic acid, o-chlorophenyl ester
RN: 4525-75-1
InChIKey: CJPVPOYTTALCNX-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Synonyms

  • 2-Chlorophenyl acetate
  • 4-06-00-00794 (Beilstein Handbook Reference)
  • AI3-17248
  • BRN 1865639
  • NSC 404080
  • o-Acetoxychlorobenzene
  • o-Chlorfenylester kyseliny octove
  • o-Chlorfenylester kyseliny octove [Czech]
  • o-Chlorophenyl acetate
  • Phenol, o-chloro-, acetate

Systematic Names

  • Acetic acid, 2-chlorophenyl ester (9CI)
  • Acetic acid, o-chlorophenyl ester

Registry Numbers

CAS Registry Number

  • 4525-75-1

System Generated Number

  • 0004525751

Structure Descriptors

InChI

1S/C8H7ClO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3

InChIKey

CJPVPOYTTALCNX-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: TREMOR "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 104, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 840 mg/L 25 EST
Vapor Pressure 0.091 mm Hg 25 EST
Henry's Law Constant 4.80E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-12 cm3/molecule-sec 25 EST

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