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Substance Name: 1-Chloro-2,6-dinitrobenzene
RN: 606-21-3
UNII: LG72RND0AB
InChIKey: BPPMIQPXQVIZNJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H3-Cl-N2-O4

Molecular Weight

  • 202.553
 
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Names and Synonyms

Name of Substance

  • 1-Chloro-2,6-dinitrobenzene
  • 2-Chloro-1,3-dinitrobenzene

Synonyms

  • 1,3-Dinitro-2-chlorobenzene
  • 1-Chloro-2,6-dinitrobenzene
  • 2,6-Dinitrochlorobenzene
  • 2-Chloro-1,3-dinitrobenzene
  • 2-Chloro-1,3-dintrobenzene
  • 4-05-00-00744 (Beilstein Handbook Reference)
  • Benzene, 2-chloro-1,3-dinitro-
  • BRN 0522187
  • EINECS 210-107-6
  • HSDB 5432
  • NSC 105590
  • NSC 21276
  • UNII-LG72RND0AB

Systematic Names

  • 2-Chloro-1,3-dinitrobenzene
  • Benzene, 2-chloro-1,3-dinitro-

Registry Numbers

CAS Registry Number

  • 606-21-3

FDA UNII

  • LG72RND0AB

System Generated Number

  • 0000606213

Structure Descriptors

InChI

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

InChIKey

BPPMIQPXQVIZNJ-UHFFFAOYSA-N

Smiles

c1(c(c([N+](=O)[O-])ccc1)Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 88 deg C   EXP
Boiling Point 315 deg C   EXP
log P (octanol-water) 2.270 (none)   EST
Atmospheric OH Rate Constant 2.14E-14 cm3/molecule-sec 25 EST

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