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Substance Name: Pentachloroaniline
RN: 527-20-8
UNII: UW5QVL647I
InChIKey: KHCZSJXTDDHLGJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H2-Cl5-N

Molecular Weight

  • 265.354
 
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Names and Synonyms

Name of Substance

  • 2,3,4,5,6-Pentachloroaniline
  • Pentachloroaniline

Synonyms

  • 2,3,4,5,6-Pentachloroaniline
  • 2,3,4,5,6-Pentachlorobenzenamine
  • 4-12-00-01287 (Beilstein Handbook Reference)
  • Aniline, 2,3,4,5,6-pentachloro-
  • Benzenamine, 2,3,4,5,6-pentachloro-
  • BRN 2806732
  • EINECS 208-410-3
  • HSDB 2693
  • NSC 49579
  • PCA
  • PCA (VAN)
  • Pentachloroaminobenzene
  • Pentachloroaniline
  • UNII-UW5QVL647I

Systematic Names

  • Aniline, 2,3,4,5,6-pentachloro-
  • Benzenamine, 2,3,4,5,6-pentachloro- (9CI)
  • Pentachloroaniline

Registry Numbers

CAS Registry Number

  • 527-20-8

FDA UNII

  • UW5QVL647I

System Generated Number

  • 0000527208

Structure Descriptors

InChI

InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

InChIKey

KHCZSJXTDDHLGJ-UHFFFAOYSA-N

Smiles

Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 15gm/kg (15000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 15, Pg. 654, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 235 deg C   EXP
log P (octanol-water) 4.82 (none)   EXP
Water Solubility 0.030 mg/L 25 EST
Vapor Pressure 3.50E-06 mm Hg 25 EST
Henry's Law Constant 4.25E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-12 cm3/molecule-sec 25 EST

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