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| CAS No.: | 7431-45-0 |
|---|---|
| Name: | 2-PHENYLPYRIMIDINE |
| Article Data: | 94 |
| Molecular Structure: | |
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|
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| Formula: | C10H8N2 |
| Molecular Weight: | 156.187 |
| Synonyms: | 2-Phenylpyrimidine;phenylpyrimidine; |
| Density: | 1.106 g/cm3 |
| Melting Point: | 37.0 to 41.0 °C |
| Boiling Point: | 188.1 °C at 760 mmHg |
| Flash Point: | 51.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 25.78000 |
| LogP: | 2.14360 |
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Specification
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