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Substance Name: Dichlorodicyanobenzoquinone
RN: 84-58-2
UNII: 1H5KD39UH7
InChIKey: HZNVUJQVZSTENZ-UHFFFAOYSA-N

Note

  • Request from searcher.

Classification Code

  • Mutation Data

Molecular Formula

  • C8-Cl2-N2-O2

Molecular Weight

  • 227.006
 
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Names and Synonyms

Name of Substance

  • Dichlorodicyanobenzoquinone

Synonyms

  • 1,2-Dichloro-4,5-dicyanobenzoquinone
  • 2,3-Dichloro-5,6-dicyano-p-benzoquinone
  • 2,3-Dichloro-5,6-dicyano-p-quinone
  • 2,3-Dichloro-5,6-dicyanobenzoquinone
  • 2,3-Dichloro-5,6-dicyanoquinone
  • 2,3-Dicyano-5,6-dichloro-1,4-benzoquinone
  • 2,3-Dicyano-5,6-dichlorobenzoquinone
  • 4,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile
  • 5,6-Dichloro-2,3-dicyano-p-benzoquinone
  • 5,6-Dicyano-2,3-dichloro-p-benzoquinone
  • CCRIS 7154
  • DDQ
  • Dichlorodicyano-p-benzoquinone
  • Dichlorodicyanobenzoquinone
  • Dichlorodicyanoquinone
  • EINECS 201-542-2
  • NSC 401087
  • UNII-1H5KD39UH7

Systematic Names

  • 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-
  • 2,3-Dichloro-5,6-dicyano-p-benzoquinone
  • 4,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile

Registry Numbers

CAS Registry Number

  • 84-58-2

FDA UNII

  • 1H5KD39UH7

System Generated Number

  • 0000084582

Structure Descriptors

InChI

1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13

InChIKey

HZNVUJQVZSTENZ-UHFFFAOYSA-N

Smiles

C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 31mg/kg (31mg/kg)   Chemotherapy Vol. 16, Pg. 371, 1971.
mouse LD50 intravenous 13mg/kg (13mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07894,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214.5 deg C   EXP
log P (octanol-water) 3.890 (none)   EST
Atmospheric OH Rate Constant 9.39E-13 cm3/molecule-sec 25 EST

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