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Substance Name: 2,4(1H,3H)-Quinazolinedione
RN: 86-96-4
UNII: 18K00A531C
InChIKey: SDQJTWBNWQABLE-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C8-H6-N2-O2

Molecular Weight

  • 162.147
 
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Names and Synonyms

Name of Substance

  • 2,4(1H,3H)-Quinazolinedione

Synonyms

  • (1H,3H)Quinazoline dione-2,4
  • (1H,3H)Quinazoline dione-2,4 [French]
  • 1,2,3,4-Tetrahydroquinazoline-2,4-dione
  • 2,4-Dihydroxyquinazoline
  • 2,4-Dioxotetrahydroquinazoline
  • 2-Keto-4-quinazolinone
  • AI3-28016
  • Benzouracil
  • Benzoyleneurea
  • EINECS 201-712-6
  • NSC 2108
  • Quinazoline-2,4-dione
  • Quinazolinedione
  • UNII-18K00A531C
  • Urea, benzoylene-

Systematic Names

  • (1H,3H)-Quinazoline-2,4-dione
  • 2,4(1H,3H)-Quinazolinedione

Registry Numbers

CAS Registry Number

  • 86-96-4

FDA UNII

  • 18K00A531C

System Generated Number

  • 0000086964

Structure Descriptors

InChI

1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

InChIKey

SDQJTWBNWQABLE-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]c([nH]c2=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1447mg/kg (1447mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 1204, 1962.
mouse LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 1204, 1962.
rat LD50 intraperitoneal 1200mg/kg (1200mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 100, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 300 deg C   EXP
log P (octanol-water) 0.77 (none)   EXP
Water Solubility 129 mg/L 23 EXP
Vapor Pressure 5.49E-08 mm Hg 25 EST
Henry's Law Constant 5.35E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.99E-11 cm3/molecule-sec 25 EST

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