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Name |
Pyrimidine, 2-phenyl- |
EINECS | N/A |
CAS No. | 7431-45-0 | Density | 1.106 g/cm3 |
PSA | 25.78000 | LogP | 2.14360 |
Solubility | N/A | Melting Point |
37.0 to 41.0 °C |
Formula | C10H8N2 | Boiling Point | 188.1 °C at 760 mmHg |
Molecular Weight | 156.187 | Flash Point | 51.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Phenylpyrimidine;phenylpyrimidine; |
Article Data | 94 |
The Pyrimidine, 2-phenyl-, with the CAS registry number 7431-45-0, has the systematic name of 2-phenylpyrimidine. It belongs to the product categories of Building Blocks and Pyrimidine. And the molecular formula of the chemical is C10H8N2.
The characteristics of Pyrimidine, 2-phenyl- are as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.87; (6)ACD/BCF (pH 7.4): 33.87; (7)ACD/KOC (pH 5.5): 433.16; (8)ACD/KOC (pH 7.4): 433.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 47.02 cm3; (15)Molar Volume: 141.1 cm3; (16)Polarizability: 18.64×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 51.4 °C; (20)Enthalpy of Vaporization: 40.69 kJ/mol; (21)Boiling Point: 188.1 °C at 760 mmHg; (22)Vapour Pressure: 0.84 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccnc1c2ccccc2
(2)InChI: InChI=1/C10H8N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8H
(3)InChIKey: OXPDQFOKSZYEMJ-UHFFFAOYAR