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Substance Name: 5-Iodouracil
RN: 696-07-1
UNII: H59BRK500M
InChIKey: KSNXJLQDQOIRIP-UHFFFAOYSA-N

Molecular Formula

  • C4-H3-I-N2-O2

Molecular Weight

  • 237.9797
 
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Names and Synonyms

Name of Substance

  • 5-Iodouracil

Synonyms

  • 5-Iodouracil
  • AI3-50390
  • EINECS 211-788-2
  • NSC 57848
  • UNII-H59BRK500M

Systematic Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-iodo-
  • 5-Iodouracil
  • Uracil, 5-iodo-
  • Uracil, 5-iodo- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 696-07-1

FDA UNII

  • H59BRK500M

Other Registry Number

  • 5909-21-7

System Generated Number

  • 0000696071

Structure Descriptors

InChI

1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

InChIKey

KSNXJLQDQOIRIP-UHFFFAOYSA-N

Smiles

c1c(c(=O)[nH]c(=O)[nH]1)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 300mg/kg (300mg/kg)   Biochemical Pharmacology. Vol. 13, Pg. 1249, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 275 dec deg C   EXP
log P (octanol-water) 0.04 (none)   EXP
Water Solubility 1250 mg/L 25 EST
Vapor Pressure 7.09E-08 mm Hg 25 EST
Henry's Law Constant 1.09E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.74E-12 cm3/molecule-sec 25 EST

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