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Substance Name: Benzene, chlorotrinitro-
RN: 28260-61-9
InChIKey: SRYLRVUJDQTFDL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H2-Cl-N3-O6

Molecular Weight

  • 247.5498
 
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Names and Synonyms

Systematic Name

  • Benzene, chlorotrinitro-

Superlist Names

  • Trinitrochlorobenzene
  • Trinitrochlorobenzene or picryl chloride
  • Trinitrochlorobenzene or picryl chloride [UN0155] [Explosive 1.1D]
  • UN0155

Registry Numbers

CAS Registry Number

  • 28260-61-9

System Generated Number

  • 0028260619

Structure Descriptors

InChI

1S/C6H2ClN3O6/c7-3-1-2-4(8(11)12)6(10(15)16)5(3)9(13)14/h1-2H

InChIKey

SRYLRVUJDQTFDL-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.090 (none)   EST
Water Solubility 178 mg/L 15 EXP
Vapor Pressure 3.83E-06 mm Hg 25 EST
Henry's Law Constant 2.45E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-15 cm3/molecule-sec 25 EST

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