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Substance Name: Pentachloroanisole
RN: 1825-21-4
UNII: 14D125MH3W
InChIKey: BBABSCYTNHOKOG-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C7-H3-Cl5-O

Molecular Weight

  • 280.365
 
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Names and Synonyms

Name of Substance

  • Pentachloroanisole

Synonyms

  • 2,3,4,5,6-Pentachloroanisole
  • 4-06-00-01027 (Beilstein Handbook Reference)
  • AI3-15752
  • Anisole, 2,3,4,5,6-pentachloro-
  • Benzene, pentachloromethoxy-
  • BRN 2052667
  • CCRIS 2119
  • Ether, methyl pentachlorophenyl
  • HSDB 4218
  • Methyl pentachlorophenate
  • Methyl pentachlorophenyl ester
  • Methyl pentachlorophenyl ether
  • NCI-C56520
  • Pentachloranisole
  • Pentachloroanisole
  • Pentachloromethoxybenzene
  • Pentachlorophenyl methyl ether
  • UNII-14D125MH3W

Systematic Names

  • Anisole, 2,3,4,5,6-pentachloro-
  • Benzene, pentachloromethoxy-
  • Benzene, pentachloromethoxy- (9CI)
  • Pentachloroanisole

Superlist Name

  • Pentachloroanisole

Registry Numbers

CAS Registry Number

  • 1825-21-4

FDA UNII

  • 14D125MH3W

System Generated Number

  • 0001825214

Structure Descriptors

InChI

1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChIKey

BBABSCYTNHOKOG-UHFFFAOYSA-N

Smiles

c1(c(c(c(Cl)c(c1Cl)Cl)Cl)Cl)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 281mg/kg (281mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: TREMOR
Toxicological and Environmental Chemistry. Vol. 11, Pg. 37, 1986.
mouse LD50 oral 318mg/kg (318mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Toxicological and Environmental Chemistry. Vol. 11, Pg. 37, 1986.
rat LDLo oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107-109 deg C   EXP
log P (octanol-water) 5.45 (none)   EXP
Water Solubility 0.354 mg/L 25 EST
Vapor Pressure 5.92E-04 mm Hg 25 EST
Henry's Law Constant 1.93E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-12 cm3/molecule-sec 25 EST

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