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Substance Name: 1,4-Benzoquinone
RN: 106-51-4
UNII: 3T006GV98U
InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-O2

Molecular Weight

  • 108.0956
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Indicators and Reagents
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 10 lb
  • TWA (0.1 ppm)
  • TWA 0.1 ppm (0.4 mg/m3)

Names and Synonyms

Name of Substance

  • 1,4-Benzoquinone
  • Quinone

Synonyms

  • 1,4-Benzoquine
  • 1,4-Benzoquinone
  • 1,4-Cyclohexadiene dioxide
  • 1,4-Cyclohexadienedione
  • 1,4-Diossibenzene
  • 1,4-Diossibenzene [Italian]
  • 1,4-Dioxy-benzol
  • 1,4-Dioxy-benzol [German]
  • 1,4-Dioxybenzene
  • 2,5-Cyclohexadiene-1,4-dione
  • AI3-09068
  • Benzo-chinon
  • Benzo-chinon [German]
  • Benzoquinone
  • Caswell No. 719C
  • CCRIS 933
  • Chinon
  • Chinon [Dutch, German]
  • Chinone
  • Cyclohexadienedione
  • EC 203-405-2
  • EINECS 203-405-2
  • EPA Pesticide Chemical Code 059805
  • HSDB 1111
  • NCI-C55845
  • NSC 36324
  • p-Chinon
  • p-Chinon [German]
  • p-Quinone
  • para-Benzoquinone
  • para-Quinone
  • Quinone
  • RCRA waste number U197
  • Steara pbq
  • UNII-3T006GV98U
  • USAF P-220

Systematic Names

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

Superlist Names

  • 1,4-Benzoquinone
  • 2,5-Cyclohexadiene-1,4-dione
  • Benzoquinone [UN2587] [Poison]
  • p-Benzoquinone
  • p-Quinone
  • Quinone
  • RCRA waste no. U197
  • UN2587

Registry Numbers

CAS Registry Number

  • 106-51-4

FDA UNII

  • 3T006GV98U

System Generated Number

  • 0000106514

Structure Descriptors

InChI

1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H

InChIKey

AZQWKYJCGOJGHM-UHFFFAOYSA-N

Smiles

C1=CC(=O)C=CC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 subcutaneous 296mg/kg (296mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
mouse LD50 intraperitoneal 8500ug/kg (8.5mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Biochemical Pharmacology. Vol. 12, Pg. 885, 1963.
mouse LD50 oral 25mg/kg (25mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0571885,
mouse LD50 subcutaneous 93800ug/kg (93.8mg/kg)   Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947.
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Pharmaceutical Bulletin. Vol. 3, Pg. 337, 1955.
rat LD50 intravenous 25mg/kg (25mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 348, 1949.
rat LD50 oral 130mg/kg (130mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 348, 1949.
rat LD50 unreported 5600ug/kg (5.6mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Russian Pharmacology and Toxicology Vol. 41, Pg. 146, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 115.7 deg C   EXP
log P (octanol-water) 0.2 (none)   EXP
Water Solubility 1.11E+04 mg/L 18 EXP
Henry's Law Constant 4.79E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.60E-12 cm3/molecule-sec 27 EXP

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