Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Chlorocatechol
RN: 4018-65-9
UNII: 0Z3E1G971E
InChIKey: GQKDZDYQXPOXEM-UHFFFAOYSA-N

Note

  • Inhibits catechol-2,3-dioxygenase.

Classification Code

  • Enzyme Inhibitors

Molecular Formula

  • C6-H5-Cl-O2

Molecular Weight

  • 144.5565
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Chlorocatechol

Synonyms

  • 3-Chloropyrocatechol
  • UNII-0Z3E1G971E

Systematic Name

  • 1,2-Benzenediol, 3-chloro-

Registry Numbers

CAS Registry Number

  • 4018-65-9

FDA UNII

  • 0Z3E1G971E

System Generated Number

  • 0004018659

Structure Descriptors

InChI

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

InChIKey

GQKDZDYQXPOXEM-UHFFFAOYSA-N

Smiles

c1(c(cccc1Cl)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48.5 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.