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| CAS No.: | 767-01-1 |
|---|---|
| Name: | Pyridine, 2-(chloromethyl)-5-methyl- (6CI,7CI,8CI,9CI) |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H8ClN |
| Molecular Weight: | 141.6 |
| Synonyms: | 2-(Chloromethyl)-5-methylpyridine; |
| Density: | 1.118 g/cm3 |
| Boiling Point: | 212.4 °C at 760 mmHg |
| Flash Point: | 102.2 °C |
| PSA: | 12.89000 |
| LogP: | 2.12880 |
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Specification
The Pyridine,2-(chloromethyl)-5-methyl-, with the CAS registry number 767-01-1, is also known as 2-Chloromethyl-5-methylpyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C7H8ClN and molecular weight is 141.5981. What's more, its systematic name is called 2-(Chloromethyl)-5-methylpyridine.
Physical properties about Pyridine,2-(chloromethyl)-5-methyl- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.28; (6)ACD/BCF (pH 7.4): 7.51; (7)ACD/KOC (pH 5.5): 142.84; (8)ACD/KOC (pH 7.4): 147.31; (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: 1.527; (14)Molar Refractivity: 38.93 cm3; (15)Molar Volume: 126.6 cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.118 g/cm3; (18)Flash Point: 102.2 °C; (19)Enthalpy of Vaporization: 43.04 kJ/mol; (20)Boiling Point: 212.4 °C at 760 mmHg; (21)Vapour Pressure: 0.253 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1ncc(cc1)C
(2) InChI: InChI=1/C7H8ClN/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4H2,1H3
(3) InChIKey: MXOPKPMEGUYUCV-UHFFFAOYAH