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7-Fluoro-4-quinazolone

  • Name 7-Fluoro-4-quinazolone
  • EINECSN/A
  • CAS No. 16499-57-3
  • Density1.44 g/cm3
  • PSA46.01000
  • LogP1.47450
  • SolubilityN/A
  • Melting Point246.0 to 250.0 °C
  • FormulaC8H5FN2O
  • Boiling Point293.3 °C at 760 mmHg
  • Molecular Weight164.139
  • Flash Point131.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes Xi:Irritant;
  • Molecular Structure
    Molecular Structure of 16499-57-3 (7-Fluoro-4-quinazolone)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data91

7-Fluoro-4-quinazolone Chemical Properties

Product Name: 7-Fluoro-4-quinazolone (CAS NO.16499-57-3)

Molecular Formula: C8H5FN2O
Molecular Weight: 164.14g/mol
Mol File: 16499-57-3.mol
Boiling point: 293.3 °C at 760 mmHg
Flash Point: 131.2 °C
Density: 1.44 g/cm3
Index of Refraction: 1.642 
Molar Refractivity: 41.14 cm3 
Molar Volume: 113.8 cm3 
Surface Tension: 47.5 dyne/cm
Enthalpy of Vaporization: 53.28 kJ/mol
Vapour Pressure: 0.00174 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 7-Fluoro-4-quinazolone (CAS NO.16499-57-3):
  IUPAC Name: 7-fluoro-1H-quinazolin-4-one
  Canonical SMILES: C1=CC2=C(C=C1F)NC=NC2=O
  InChI: InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12) 
  InChIKey: KCORZHJVTZIZFD-UHFFFAOYSA-N
Product Categories: API intermediates; Fused Ring Systems

7-Fluoro-4-quinazolone Safety Profile

Safety Information of 7-Fluoro-4-quinazolone (CAS NO.16499-57-3):
Hazard Codes: XiIrritant
Hazard Note: Irritant

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