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Substance Name: 4-Chlorophenylurethane
RN: 2621-80-9
InChIKey: WSKXXIMERYQVGJ-UHFFFAOYSA-N

Note

  • Involved in Na+ & K+ transport in combination with monensin.

Molecular Formula

  • C9-H10-Cl-N-O2

Molecular Weight

  • 199.636
 
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Names and Synonyms

Name of Substance

  • 4-Chlorophenylurethane

Synonyms

  • 4-12-00-01188 (Beilstein Handbook Reference)
  • AI3-51956
  • BRN 0779335
  • Carbamic acid, p-chlorophenyl-, ethyl ester
  • Ethyl (p-chlorophenyl)carbamate
  • Ethyl 4-chlorocarbanilate
  • Ethyl 4-chlorophenylcarbamate
  • Ethyl N-(4-chlorophenyl)carbamate
  • Ethyl N-(p-chlorophenyl)carbamate
  • Ethyl p-chlorocarbanilate
  • Ethyl-N-(p-chlorophenyl)carbamate
  • N-(4-Chlorophenyl)ethylurethane
  • NSC 26960
  • p-Chlorocarbanilic acid ethyl ester
  • p-Chlorophenyl-urethane

Systematic Names

  • Carbamic acid, (4-chlorophenyl)-, ethyl ester (9CI)
  • Carbanilic acid, p-chloro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 2621-80-9

System Generated Number

  • 0002621809

Structure Descriptors

InChI

1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

InChIKey

WSKXXIMERYQVGJ-UHFFFAOYSA-N

Smiles

c1(NC(OCC)=O)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04379,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.97 (none)   EXP
Water Solubility 1070 mg/L 25 EST
Vapor Pressure 3.40E-03 mm Hg 25 EST
Henry's Law Constant 2.37E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.85E-12 cm3/molecule-sec 25 EST

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