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Substance Name: Phenol, 2-chloro-4,6-dinitro-
RN: 946-31-6
InChIKey: PCBCIXWBAPIVDV-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C6-H3-Cl-N2-O5

Molecular Weight

  • 218.552
 
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Names and Synonyms

Synonyms

  • 2,4-Dinitro-6-chlorophenol
  • 2-Chloro-4,6-dinitrophenol
  • 4-06-00-01386 (Beilstein Handbook Reference)
  • 6-Chloro-2,4-dinitrophenol
  • AI3-14998
  • BRN 1980567
  • EINECS 213-419-0
  • NSC 3
  • NSC 38993
  • NSC 6072
  • USAF DO-60

Systematic Names

  • 2-Chloro-4,6-dinitrophenol
  • Phenol, 2-chloro-4,6-dinitro-

Registry Numbers

CAS Registry Number

  • 946-31-6

System Generated Number

  • 0000946316

Structure Descriptors

InChI

1S/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H

InChIKey

PCBCIXWBAPIVDV-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1O)Cl)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 34, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.1 (none) 25 EXP
log P (octanol-water) 2.370 (none)   EST
Water Solubility 331 mg/L 25 EST
Vapor Pressure 3.01E-06 mm Hg 25 EST
Henry's Law Constant 2.05E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.47E-13 cm3/molecule-sec 25 EST

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