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215867-87-1

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Basic Information
CAS No.: 215867-87-1
Name: 2-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)PYRIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 215867-87-1 (2-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)PYRIDINE)
Formula: C7H5ClF3N
Molecular Weight: 195.57
Synonyms: 2-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)PYRIDINE;PYRIDINE, 2-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)-
Density: 1.359 g/cm3
Boiling Point: 199.6 °C at 760 mmHg
Flash Point: 74.5 °C
PSA: 12.89000
LogP: 2.83920
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Specification

The Pyridine, 2-(chloromethyl)-4-(trifluoromethyl)- has CAS registry number 215867-87-1. This chemical's molecular formula is C7H5ClF3N and molecular weight is 195.57. What's more, its systematic name is 2-(chloromethyl)-4-(trifluoromethyl)pyridine.

Physical properties of Pyridine, 2-(chloromethyl)-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.13; (6)ACD/BCF (pH 7.4): 9.13; (7)ACD/KOC (pH 5.5): 169.47; (8)ACD/KOC (pH 7.4): 169.49; (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: 1.455; (14)Molar Refractivity: 39.08 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 15.49×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 74.5 °C; (20)Enthalpy of Vaporization: 41.79 kJ/mol; (21)Boiling Point: 199.6 °C at 760 mmHg; (22)Vapour Pressure: 0.48 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(ccn1)C(F)(F)F
(2)Std. InChI: InChI=1S/C7H5ClF3N/c8-4-6-3-5(1-2-12-6)7(9,10)11/h1-3H,4H2
(3)Std. InChIKey: KAGAMWQQBRRVBH-UHFFFAOYSA-N