5-Fluoropyrimidine-4,6-diol supplier

Name
5-FLUORO-PYRIMIDINE-4,6-DIOL
EINECS
CAS No. 106615-61-6
Article Data10
CAS DataBase
Density 1.73 g/cm³
Solubility
Melting Point
Formula C₄H₃FN₂O₂
Boiling Point 295.4 °C at 760 mmHg
Molecular Weight 130.078
Flash Point 132.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,5-fluoro-6-hydroxy- (9CI);4,6-Dihydroxy-5-fluoropyrimidine;
PSA 66.24000
LogP 0.02690

5-Fluoropyrimidine-4,6-diol Specification

The CAS registry number of 5-Fluoropyrimidine-4,6-diol is 106615-61-6. In addition, the molecular formula is C₄H₃FN₂O₂ and the molecular weight is 130.08. The IUPAC name is 5-fluoro-4-hydroxy-1H-pyrimidin-6-one. What's more, it belongs to the class of Pyrimidine and should be stored in a cool and dry place.

Physical properties about 5-Fluoropyrimidine-4,6-diol are: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -4.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 26.1 cm³; (15)Molar Volume: 75 cm³; (16)Polarizability: 10.35×10^-24 cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.73 g/cm³; (19)Flash Point: 132.4 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 295.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000869 mmHg at 25°C.

People can use the following data to convert to the molecule structure:
(1)SMILES:F\C1=C(/O)\N=C/NC1=O
(2)InChI:InChI=1/C4H3FN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
(3)InChIKey:XGSFAIWGUAFXSG-UHFFFAOYAN

Product Name

5-FLUORO-PYRIMIDINE-4,6-DIOL

5-Fluoropyrimidine-4,6-diol Specification

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