Pyridine,4-methyl-3-phenyl- supplier

Name
3-PHENYL-4-PICOLINE
EINECS
CAS No. 19352-29-5
Article Data17
CAS DataBase
Density 1.03 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁N
Boiling Point 281.9 °C at 760 mmHg
Molecular Weight 169.226
Flash Point 117.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Phenyl-4-methylpyridine;4-Picoline,3-phenyl- (6CI,8CI);4-Methyl-3-phenylpyridine;
PSA 12.89000
LogP 3.05700

Pyridine,4-methyl-3-phenyl- Specification

The Pyridine,4-methyl-3-phenyl-, with the CAS registry number 19352-29-5, is also known as 3-Phenyl-4-picoline. This chemical's molecular formula is C₁₂H₁₁N and molecular weight is 169.22. What's more, its systematic name is 4-Methyl-3-phenylpyridine.

Physical properties of Pyridine,4-methyl-3-phenyl- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 67.97; (6)ACD/BCF (pH 7.4): 136.63; (7)ACD/KOC (pH 5.5): 582.61; (8)ACD/KOC (pH 7.4): 1171.19; (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^-24 cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 117.6 °C; (20)Enthalpy of Vaporization: 49.98 kJ/mol; (21)Boiling Point: 281.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0059 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc(c(c1ccccc1)c2)C
(2)InChI: InChI=1/C12H11N/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11/h2-9H,1H3
(3)InChIKey: YDJITZMUZXZCBI-UHFFFAOYAT

Product Name

3-PHENYL-4-PICOLINE

Pyridine,4-methyl-3-phenyl- Specification

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