Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,4-Dichlorophenol
RN: 95-77-2
UNII: 070FTM6DVF
InChIKey: WDNBURPWRNALGP-UHFFFAOYSA-N

Note

  • Testing required upon production or importation

Classification Code

  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Molecular Formula

  • C6-H4-Cl2-O

Molecular Weight

  • 163.003
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3,4-Dichlorophenol

Synonyms

  • 3,4-Dichlorophenol
  • 4,5-Dichlorophenol
  • 4-06-00-00952 (Beilstein Handbook Reference)
  • BRN 1907693
  • CCRIS 5904
  • EINECS 202-450-5
  • HSDB 4247
  • NSC 60648
  • Phenol, 3,4-dichloro-
  • UNII-070FTM6DVF

Systematic Names

  • 3,4-Dichlorophenol
  • Phenol, 3,4-dichloro-

Superlist Name

  • 3,4-Dichlorophenol

Registry Numbers

CAS Registry Number

  • 95-77-2

FDA UNII

  • 070FTM6DVF

System Generated Number

  • 0000095772

Structure Descriptors

InChI

1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

InChIKey

WDNBURPWRNALGP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1685mg/kg (1685mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology Letters. Vol. 29, Pg. 39, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68 deg C   EXP
Boiling Point 253 deg C   EXP
pKa Dissociation Constant 8.63 (none)   EXP
log P (octanol-water) 3.33 (none)   EXP
Water Solubility 9260 mg/L 25 EXP
Vapor Pressure 0.017 mm Hg 25 EST
Henry's Law Constant 3.08E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.99E-12 cm3/molecule-sec 25 EST

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