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Substance Name: Benzene, chlorodinitro- (mixed isomers)
RN: 25567-67-3
InChIKey: KYDXWCHDUCDNGR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H3-Cl-N2-O4

Molecular Weight

  • 202.5527
 
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Names and Synonyms

Synonyms

  • Dinitrochlorobenzene
  • EINECS 247-109-1

Systematic Names

  • Benzene, chlorodinitro-
  • Benzene, chlorodinitro- (mixed isomers)
  • Chlorodinitrobenzene

Superlist Names

  • Benzene, chlorodinitro-
  • Chlorodinitrobenzene, all isomers
  • Chlorodinitrobenzenes
  • Chlorodinitrobenzenes [UN1577] [Poison]
  • Dinitrochlorobenzene
  • Dinitrochlorobenzenes
  • UN1577

Registry Numbers

CAS Registry Number

  • 25567-67-3

System Generated Number

  • 0025567673

Structure Descriptors

InChI

1S/C6H3ClN2O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H

InChIKey

KYDXWCHDUCDNGR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 300mg/kg (300mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 61, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.270 (none)   EST
Water Solubility 238 mg/L 25 EST
Vapor Pressure 2.05E-04 mm Hg 25 EST
Henry's Law Constant 6.22E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-14 cm3/molecule-sec 25 EST

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