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Substance Name: 3,4,5-Trichloronitrobenzene
RN: 20098-48-0
UNII: AH0CU8672K
InChIKey: HHLCSFGOTLUREE-UHFFFAOYSA-N

Molecular Formula

  • C6-H2-Cl3-N-O2

Molecular Weight

  • 226.446
 
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Names and Synonyms

Name of Substance

  • 3,4,5-Trichloronitrobenzene

Synonyms

  • EINECS 243-511-6
  • UNII-AH0CU8672K

Systematic Names

  • 1,2,3-Trichloro-5-nitrobenzene
  • Benzene, 1,2,3-trichloro-5-nitro-

Registry Numbers

CAS Registry Number

  • 20098-48-0

FDA UNII

  • AH0CU8672K

System Generated Number

  • 0020098480

Structure Descriptors

InChI

1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

InChIKey

HHLCSFGOTLUREE-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72.5 deg C   EXP
log P (octanol-water) 3.740 (none)   EST
Atmospheric OH Rate Constant 2.46E-14 cm3/molecule-sec 25 EST

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