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Substance Name: 4-Chlorocatechol
RN: 2138-22-9
UNII: I01EXU3P3J
InChIKey: WWOBYPKUYODHDG-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-Cl-O2

Molecular Weight

  • 144.557
 
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Names and Synonyms

Name of Substance

  • 4-Chlorocatechol

Synonyms

  • 1,2-Benzenediol, 4-chloro-
  • 4-06-00-05614 (Beilstein Handbook Reference)
  • 4-Chlorocatechol
  • 4-Chloropyrocatechol
  • BRN 1907691
  • EINECS 218-381-9
  • UNII-I01EXU3P3J

Systematic Names

  • 1,2-Benzenediol, 4-chloro-
  • 4-Chloropyrocatechol
  • Pyrocatechol, 4-chloro-

Registry Numbers

CAS Registry Number

  • 2138-22-9

FDA UNII

  • I01EXU3P3J

System Generated Number

  • 0002138229

Structure Descriptors

InChI

1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

InChIKey

WWOBYPKUYODHDG-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07880,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90.5 deg C   EXP
log P (octanol-water) 1.680 (none)   EST
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

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