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Substance Name: 2,3,5,6-Tetrachloro-4-nitroanisole
RN: 2438-88-2
UNII: AOX0D94LLR
InChIKey: BGPPUXMKKQMWLV-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C7-H3-Cl4-N-O3

Molecular Weight

  • 290.917
 
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Names and Synonyms

Name of Substance

  • 2,3,5,6-Tetrachloro-4-nitroanisole

Synonyms

  • 1,2,4,5-Tetrachloro-3-methoxy-6-nitrobenzene
  • 2,3,5,6-Tetrachloro-4-nitroanisole
  • 3-06-00-00842 (Beilstein Handbook Reference)
  • 4-Nitro-2,3,5,6-tetrachloranisole
  • AI3-22335
  • Anisole, 2,3,5,6-tetrachloro-4-nitro-
  • Benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro-
  • BRN 2382408
  • CCRIS 580
  • ENT 22,335
  • HSDB 4119
  • NCI-C03032
  • NSC 407047
  • TCNA
  • Tetrachloronitroanisole
  • UNII-AOX0D94LLR

Systematic Names

  • 2,3,5,6-Tetrachloro-4-nitroanisole
  • Anisole, 2,3,5,6-tetrachloro-4-nitro-
  • Benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro-
  • Benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro- (9CI)

Superlist Name

  • 2,3,5,6-Tetrachloro-4-nitroanisole

Registry Numbers

CAS Registry Number

  • 2438-88-2

FDA UNII

  • AOX0D94LLR

System Generated Number

  • 0002438882

Structure Descriptors

InChI

1S/C7H3Cl4NO3/c1-15-7-4(10)2(8)6(12(13)14)3(9)5(7)11/h1H3

InChIKey

BGPPUXMKKQMWLV-UHFFFAOYSA-N

Smiles

c1(c(c(c(OC)c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 260mg/kg (260mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 101-105 deg C   EXP
log P (octanol-water) 4.470 (none)   EST
Water Solubility 0.540 mg/L 25 EST
Vapor Pressure 3.80E-05 mm Hg 25 EST
Henry's Law Constant 1.90E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.43E-13 cm3/molecule-sec 25 EST

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