5-Fluoro-2-pyrimidinecarbonitrile supplier

Name
5-Fluoro-2-pyrimidinecarbonitrile
EINECS 682-429-9
CAS No. 38275-55-7
Article Data20
CAS DataBase
Density 1.358 g/cm³
Solubility
Melting Point
Formula C₅H₂FN₃
Boiling Point 255.7 °C at 760 mmHg
Molecular Weight 123.089
Flash Point 108.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyano-5-fluoropyrimidine;5-Fluoropyrimidine-2-carbonitrile;
PSA 49.57000
LogP 0.48738

5-Fluoro-2-pyrimidinecarbonitrile Specification

The systematic name of 5-Fluoro-2-pyrimidinecarbonitrile is 2-pyrimidinecarbonitrile, 5-fluoro-. With the CAS registry number 38275-55-7, it is also named as 2-Cyano-5-fluoropyrimidine. The product's categories are Pyrimidine; Pyrimidines. In addition, its molecular formula is C₅H₂FN₃ and molecular weight is 123.09.

The other characteristics of 5-Fluoro-2-pyrimidinecarbonitrile can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.24; (5)ACD/KOC (pH 7.4): 17.24; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 49.57 Å²; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 27.02 cm³; (12)Molar Volume: 90.6 cm³; (13)Polarizability: 10.71×10^-24cm³; (14)Surface Tension: 59.1 dyne/cm; (15)Density: 1.35 g/cm³; (16)Flash Point: 108.5 °C; (17)Enthalpy of Vaporization: 49.32 kJ/mol; (18)Boiling Point: 255.7 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(cnc(n1)C#N)F
(2)InChI: InChI=1/C5H2FN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(3)InChIKey: GAIUVAWQVCEHIS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H2FN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(5)Std. InChIKey: GAIUVAWQVCEHIS-UHFFFAOYSA-N

Product Name

5-Fluoro-2-pyrimidinecarbonitrile

5-Fluoro-2-pyrimidinecarbonitrile Specification

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