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1196153-86-2

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Basic Information
CAS No.: 1196153-86-2
Name: 4-Chloro-6-(trifluoromethyl)pyridin-3-amine
Molecular Structure:
Molecular Structure of 1196153-86-2 (4-Chloro-6-(trifluoromethyl)pyridin-3-amine)
Formula: C6H4ClF3N2
Molecular Weight: 196.56
Synonyms: 4-chloro-6-(trifluoromethyl)pyridin-3-amine;4-Chloro-6-(trifluoromethyl)pyridin-3-amine, 5-Amino-4-chloro-alpha,alpha,alpha-trifluoro-2-picoline;5-Amino-4-chloro-2-(trifluoromethyl)pyridine
Density: 1.507 g/cm3
Boiling Point: 220.418 °C at 760 mmHg
Flash Point: 87.106 °C
PSA: 38.91000
LogP: 2.91720
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Specification

The systematic name of this chemical is 4-Chloro-6-(trifluoromethyl)pyridin-3-amine. It has CAS registry number 1196153-86-2. In addition, its molecular formula is C6H4ClF3N2 and molecular weight is 196.5575696.

Physical properties about the 4-Chloro-6-(trifluoromethyl)pyridin-3-amine are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.416; (4)ACD/LogD (pH 7.4): 1.416; (5)ACD/BCF (pH 5.5): 7.022; (6)ACD/BCF (pH 7.4): 7.022; (7)ACD/KOC (pH 5.5): 140.444; (8)ACD/KOC (pH 7.4): 140.444; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 38.455 cm3; (15)Molar Volume: 130.399 cm3; (16)Surface Tension: 36.417 dyne/cm; (17)Density: 1.507 g/cm3; (18)Flash Point: 87.106 °C; (19)Enthalpy of Vaporization: 45.684 kJ/mol; (20)Boiling Point: 220.418 °C at 760 mmHg; (21)Vapour Pressure: 0.113 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(cnc1C(F)(F)F)N)Cl
(2) InChI: InChI=1/C6H4ClF3N2/c7-3-1-5(6(8,9)10)12-2-4(3)11/h1-2H,11H2
(3) InChIKey: XKRQUYRYIFNHNV-UHFFFAOYAV