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| CAS No.: | 5969-83-5 |
|---|---|
| Name: | 2-(4-chlorophenyl)pyridine |
| Molecular Structure: | |
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| Formula: | C11H8ClN |
| Molecular Weight: | 189.644 |
| Synonyms: | Pyridine,2-(p-chlorophenyl)- (7CI,8CI);2-(4-Chlorophenyl)pyridine; |
| Density: | 1.186 g/cm3 |
| Melting Point: | 44-45 °C(Solv: dichloromethane (75-09-2); cyclohexane (110-82-7)) |
| Boiling Point: | 301.1 °C at 760 mmHg |
| Flash Point: | 164.2 °C |
| PSA: | 12.89000 |
| LogP: | 3.40200 |
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Specification
This chemical is called 2-(4-Chlorophenyl)pyridine, and it can also be named as Pyridine, 2-(4-chlorophenyl)-. With the molecular formula of C11H8ClN, its molecular weight is 189.64. The CAS registry number of this chemical is 5969-83-5.
Other characteristics of the 2-(4-Chlorophenyl)pyridine can be summarised as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 149.27; (6)ACD/BCF (pH 7.4): 159.13; (7)ACD/KOC (pH 5.5): 1229.48; (8)ACD/KOC (pH 7.4): 1310.77; (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: 1.588; (14)Molar Refractivity: 53.83 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 21.34×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 164.2 °C; (20)Enthalpy of Vaporization: 51.96 kJ/mol; (21)Boiling Point: 301.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00192 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(c1ncccc1)cc2
2.InChI: InChI=1/C11H8ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
3.InChIKey: WHXIEVDMCNQVOV-UHFFFAOYAY