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Substance Name: Benzene, 2-methoxy-1,3,5-trinitro-
RN: 606-35-9
InChIKey: FMXDVBRYDYFVGS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N3-O7

Molecular Weight

  • 243.13
 
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Names and Synonyms

Synonyms

  • 2,4,6-Trinitroanisole
  • 2-Methoxy-1,3,5-trinitrobenzene
  • 4-06-00-01456 (Beilstein Handbook Reference)
  • BRN 0429044
  • CCRIS 5346
  • Ether, methyl 2,4,6-trinitrophenyl
  • Ether, methyl picryl
  • Methyl picrate
  • NSC 36950

Systematic Names

  • 2,4,6-Trinitroanisole
  • Anisole, 2,4,6-trinitro-
  • Benzene, 2-methoxy-1,3,5-trinitro-

Superlist Name

  • Trinitroanisole

Registry Numbers

CAS Registry Number

  • 606-35-9

System Generated Number

  • 0000606359

Structure Descriptors

InChI

1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3

InChIKey

FMXDVBRYDYFVGS-UHFFFAOYSA-N

Smiles

c1(c(cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-])OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69 deg C   EXP
log P (octanol-water) 1.530 (none)   EST
Water Solubility 200 mg/L 15 EXP
Vapor Pressure 2.70E-06 mm Hg 25 EST
Henry's Law Constant 1.96E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.31E-13 cm3/molecule-sec 25 EST

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