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Substance Name: 4,5-Dichloroguaiacol
RN: 2460-49-3
UNII: UE34XAW6L9
InChIKey: HAAFFTHBNFBVKY-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-Cl2-O2

Molecular Weight

  • 193.028
 
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Names and Synonyms

Name of Substance

  • 4,5-Dichloroguaiacol

Synonyms

  • 4,5-Dichloro-2-methoxyphenol
  • 4,5-Dichloroguaiacol
  • 4-06-00-05617 (Beilstein Handbook Reference)
  • BRN 1950125
  • UNII-UE34XAW6L9

Systematic Name

  • Phenol, 4,5-dichloro-2-methoxy-

Registry Numbers

CAS Registry Number

  • 2460-49-3

FDA UNII

  • UE34XAW6L9

System Generated Number

  • 0002460493

Structure Descriptors

InChI

1S/C7H6Cl2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3

InChIKey

HAAFFTHBNFBVKY-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)c(c1)Cl)O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.26 (none)   EXP
Water Solubility 78 mg/L 25 EST
Vapor Pressure 0.00444 mm Hg 25 EXP
Henry's Law Constant 1.82E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.89E-12 cm3/molecule-sec 25 EST

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