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Substance Name: 5-Nitrobarbituric acid
RN: 480-68-2
UNII: 8WZ923176V
InChIKey: ABICJYZKIYUWEE-UHFFFAOYSA-N

Molecular Formula

  • C4-H3-N3-O5

Molecular Weight

  • 173.084
 
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Names and Synonyms

Name of Substance

  • 5-Nitrobarbituric acid

Synonyms

  • 5-24-09-00105 (Beilstein Handbook Reference)
  • 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Nitro-6-hydroxyuracil
  • 5-Nitrobarbituric acid
  • AI3-08858
  • BRN 0180758
  • Dilituric acid
  • EINECS 207-557-0
  • NSC 5071
  • UNII-8WZ923176V

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-
  • 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Nitrobarbituric acid
  • Barbituric acid, 5-nitro-

Registry Numbers

CAS Registry Number

  • 480-68-2

FDA UNII

  • 8WZ923176V

Other Registry Numbers

  • 104390-34-3
  • 106351-49-9
  • 1071306-40-5
  • 28176-10-5
  • 408326-79-4
  • 443922-47-2
  • 506429-09-0
  • 654052-69-4
  • 882755-36-4

System Generated Number

  • 0000480682

Structure Descriptors

InChI

1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)

InChIKey

ABICJYZKIYUWEE-UHFFFAOYSA-N

Smiles

C1(C(NC(=O)NC1=O)=O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01678,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 180.5 deg C   EXP
log P (octanol-water) -1.190 (none)   EST
Water Solubility 900 mg/L 25 EXP
Atmospheric OH Rate Constant 2.13E-12 cm3/molecule-sec 25 EST

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