Name: Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)- (9CI)
SKU: 386715-33-9

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Basic Information

Molecular Structure:
CAS No.:	386715-33-9
Name:	Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)- (9CI)
Article Data:	9

Formula:	C₇H₅ClF₃N
Molecular Weight:	195.572
Synonyms:	(6-Trifluoromethylpyridin-3-yl)methylchloride;3-Chloromethyl-6-(trifluoromethyl)pyridine;5-(Chloromethyl)-2-(trifluoromethyl)pyridine;
Density:	1.359 g/cm³
Boiling Point:	204.942 °C at 760 mmHg
Flash Point:	77.746 °C
PSA:	12.89000
LogP:	2.83920

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Specification

The Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)-, with the CAS registry number 386715-33-9, is also known as 2-(Trifluoromethyl)-5-chloromethyl pyridine. It belongs to the product category of Halometyl. This chemical's molecular formula is C₇H₅ClF₃N and molecular weight is 195.57. What's more, its IUPAC name is 5-(Chloromethyl)-2-(trifluoromethyl)pyridine.

Physical properties about Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.664; (4)ACD/LogD (pH 7.4): 1.664; (5)ACD/BCF (pH 5.5): 10.833; (6)ACD/BCF (pH 7.4): 10.833; (7)ACD/KOC (pH 5.5): 191.56; (8)ACD/KOC (pH 7.4): 191.56; (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: 1.456; (14)Molar Refractivity: 39.09 cm³; (15)Molar Volume: 143.863 cm³; (16)Polarizability: 15.496×10^-24cm³; (17)Surface Tension: 29.012 dyne/cm; (18)Density: 1.359 g/cm³; (19)Flash Point: 77.746 °C; (20)Enthalpy of Vaporization: 42.316 kJ/mol; (21)Boiling Point: 204.942 °C at 760 mmHg; (22)Vapour Pressure: 0.367 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ncc1CCl)C(F)(F)F
(2) InChI: InChI=1/C7H5ClF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
(3) InChIKey: PRPAYPBERKUDKO-UHFFFAOYAY