-
Name
6-Fluoropurine
- EINECS
- CAS No. 1480-89-3
- Article Data5
- CAS DataBase
- Density 1.61g/cm3
- Solubility
- Melting Point
- Formula C5H3 F N4
- Boiling Point 424.9°Cat760mmHg
- Molecular Weight 138.104
- Flash Point 210.8°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-Purine,6-fluoro- (9CI); Purine, 6-fluoro- (6CI,8CI); 6-Fluoropurine
- PSA 54.46000
- LogP 0.49200
6-Fluoropurine Chemical Properties
Molecular Structure of 6-Fluoropurine (CAS NO.1480-89-3):
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IUPAC Name: 6-Fluoro-7H-purine
Molecular Formula: C5H3FN4
Molecular Weight: 138.10
XLogP3: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 0
Tautomer Count: 4
Exact Mass: 138.034174
MonoIsotopic Mass: 138.034174
Topological Polar Surface Area: 54.5
Heavy Atom Count: 10
Complexity: 131
Index of Refraction: 1.69
Molar Refractivity: 32.79 cm3
Molar Volume: 85.7 cm3
Surface Tension: 84.8 dyne/cm
Density: 1.61 g/cm3
Flash Point: 210.8 °C
Enthalpy of Vaporization: 65.32 kJ/mol
Boiling Point: 424.9 °C at 760 mmHg
Vapour Pressure: 4.93E-07 mmHg at 25 °C
Product Categories: PYRIMIDINE; Purines
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)F
InChI: InChI=1S/C5H3FN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey: LGQVOKWMIRXXDM-UHFFFAOYSA-N
6-Fluoropurine Specification
6-Fluoropurine (CAS NO.1480-89-3), its Synonyms are 1H-Purine, 6-fluoro- ; 9H-Purine, 6-fluoro- ; 1H-Purine,6-fluoro- (9CI) ; Purine, 6-fluoro- (6CI,8CI) ; 6-Fluoro-1H-purine .
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