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Name |
Pyridine,3-chloro-5-phenyl- |
EINECS | N/A |
CAS No. | 292068-12-3 | Density | 1.186g/cm3 |
PSA | 12.89000 | LogP | 3.40200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H8ClN | Boiling Point | 303.1 °C at 760 mmHg |
Molecular Weight | 189.644 | Flash Point | 165.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-5-phenylpyridine; |
Article Data | 4 |
The Pyridine,3-chloro-5-phenyl-, with CAS registry number 292068-12-3, has the systematic name of 3-chloro-5-phenylpyridine. Its molecular weight is 189.64. And the chemical formula of this chemical is C11H8ClN.
Physical properties of Pyridine,3-chloro-5-phenyl-: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 256.91; (6)ACD/BCF (pH 7.4): 257.2; (7)ACD/KOC (pH 5.5): 1846.64; (8)ACD/KOC (pH 7.4): 1848.76; (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: 165.6 °C; (20)Enthalpy of Vaporization: 52.16 kJ/mol; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00171 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1ccccc1)cnc2
(2)InChI: InChI=1/C11H8ClN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: FQQRGAUVWHBXDN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H8ClN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
(5)Std. InChIKey: FQQRGAUVWHBXDN-UHFFFAOYSA-N