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Substance Name: p-Benzoquinone dioxime
RN: 105-11-3
UNII: MGE6YH92Q2
InChIKey: LNHURPJLTHSVMU-SFECMWDFSA-N

Molecular Formula

  • C6-H6-N2-O2

Molecular Weight

  • 138.125
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,4-Benzoquinone dioxime
  • p-Benzoquinone dioxime

Synonyms

  • 1,4-Benzochinondioxim
  • 1,4-Benzochinondioxim [Czech]
  • 1,4-Benzoquinone dioxime
  • 2,5-Cyclohexadiene-1,4-dione, dioxime
  • 4-07-00-02074 (Beilstein Handbook Reference)
  • Actor Q
  • AI3-52518
  • Benzoquinone dioxime
  • BRN 2043234
  • CCRIS 549
  • Dibenzo PQD
  • Dioxime 1,4-cyclohexadienedione
  • Dioxime 2,5-cyclohexadiene-1,4-dione
  • Dioxime p-benzoquinone
  • EINECS 203-271-5
  • G-M-F
  • HSDB 2866
  • NCI-C03850
  • NSC 14433
  • NSC 4774
  • p-Benzoquinone dioxime
  • p-Quinone dioxime
  • p-Quinone oxime
  • para-Quinone oxime
  • Paraquinondioxime
  • PQD
  • QDO
  • Quinone dioxime
  • UNII-MGE6YH92Q2

Systematic Names

  • 2,5-Cyclohexadiene-1,4-dione, 1,4-dioxime
  • 2,5-Cyclohexadiene-1,4-dione, dioxime
  • p-Benzoquinone dioxime
  • p-Quinone dioxime

Superlist Names

  • 1,4-Benzoquinone dioxime
  • p-Benzoquinone dioxime
  • p-Quinone dioxime

Registry Numbers

CAS Registry Number

  • 105-11-3

FDA UNII

  • MGE6YH92Q2

System Generated Number

  • 0000105113

Structure Descriptors

InChI

InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H/b7-5-,8-6-

InChIKey

LNHURPJLTHSVMU-SFECMWDFSA-N

Smiles

ON=C1C=CC(=NO)C=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1420mg/kg (1420mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 29(10), Pg. 15, 1964.
rat LD50 oral 464mg/kg (464mg/kg)   Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 243 dec deg C   EXP
log P (octanol-water) 1.49 (none)   EXP
Water Solubility 4550 mg/L 25 EST
Vapor Pressure 1.41E-05 mm Hg 25 EST
Henry's Law Constant 3.74E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

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