4-Methyl-2-phenylpyridine supplier

Name
4-Methyl-2-phenylpyridine
EINECS 222-448-8
CAS No. 3475-21-6
Article Data72
CAS DataBase
Density 1.03 g/cm³
Solubility
Melting Point 47.0 to 51.0 °C
Formula C₁₂H₁₁N
Boiling Point 284.5 °C at 760 mmHg
Molecular Weight 169.226
Flash Point 119.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Picoline,2-phenyl- (6CI,7CI,8CI);2-Phenyl-4-methylpyridine;2-Phenyl-4-picoline;
PSA 12.89000
LogP 3.05700

4-Methyl-2-phenylpyridine Specification

The 4-Methyl-2-phenylpyridine with cas registry number of 3475-21-6, belongs to the following product categories: API intermediates. Its systematic name and its IUPAC name are the same, which is 4-methyl-2-phenylpyridine. Besides this, it is also named pyridine, 4-methyl-2-phenyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 96.41; (6)ACD/BCF (pH 7.4): 130.76; (7)ACD/KOC (pH 5.5): 838.83; (8)ACD/KOC (pH 7.4): 1137.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 53.76 cm³; (15)Molar Volume: 164.2 cm³; (16)Polarizability: 21.31×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Enthalpy of Vaporization: 50.24 kJ/mol; (19)Vapour Pressure: 0.0051 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(cc1c2ccccc2)C;
(2)InChI: InChI=1/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3;
(3)InChIKey: WWMRJCUZPJJWBC-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3;
(5)Std. InChIKey: WWMRJCUZPJJWBC-UHFFFAOYSA-N

Product Name

4-Methyl-2-phenylpyridine

4-Methyl-2-phenylpyridine Specification

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