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6-Iodouracil

  • Name 6-Iodouracil
  • EINECSN/A
  • CAS No. 4269-94-7
  • Density2.394 g/cm3
  • PSA65.72000
  • LogP-0.33220
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC4H3IN2O2
  • Boiling PointN/A
  • Molecular Weight237.985
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 4269-94-7 (6-Iodouracil)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data7

6-Iodouracil Chemical Properties


IUPAC Name: 6-Iodo-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=C(NC(=O)NC1=O)I
InChI: InChI=1S/C4H3IN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9) 
InChIKey: KSLZHGYKGYWHOO-UHFFFAOYSA-N
Molecular Weight: 237.98329 [g/mol]
Molecular Formula: C4H3IN2O2
XLogP3: -0.5
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 9
Exact Mass: 237.92392
MonoIsotopic Mass: 237.92392
Topological Polar Surface Area: 58.2
Heavy Atom Count: 9
Complexity: 199
Index of Refraction: 1.705 
Molar Refractivity: 38.66 cm3 
Molar Volume: 99.4 cm3
Surface Tension: 69.5 dyne/cm 
Density of 6-Iodouracil (CAS NO.4269-94-7): 2.39 g/cm

6-Iodouracil Specification

 6-Iodouracil (CAS NO.4269-94-7), its Synonyms are 2,4(1H,3H)-Pyrimidinedione, 6-iodo- ; 6-Iodo-1H-pyrimidine-2,4-dione ; 2,4(1H,3H)-pyrimidinedione, 6-iodo- .

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