Pyrimidine, 2-phenyl- supplier

Name
2-PHENYLPYRIMIDINE
EINECS
CAS No. 7431-45-0
Article Data94
CAS DataBase
Density 1.106 g/cm³
Solubility
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
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Phenylpyrimidine;phenylpyrimidine;
PSA 25.78000
LogP 2.14360

Pyrimidine, 2-phenyl- 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

Product Name

2-PHENYLPYRIMIDINE

Pyrimidine, 2-phenyl- Specification

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