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1480-66-6

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Basic Information
CAS No.: 1480-66-6
Name: 6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
Article Data: 3
Molecular Structure:
Molecular Structure of 1480-66-6 (6-chloro-2-(trifluoromethyl)pyrimidin-4-amine)
Formula: C5H3ClF3N3
Molecular Weight: 197.547
Synonyms: 6-Chloro-2-trifluoromethylpyrimidin-4-ylamine;
Density: 1.598 g/cm3
Boiling Point: 202.6 °C at 760 mmHg
Flash Point: 76.3 °C
PSA: 51.80000
LogP: 2.31220
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Specification

The 4-Pyrimidinamine, 6-chloro-2-(trifluoromethyl)-, with the CAS registry number 1480-66-6, is also known as 6-Chloro-2-trifluoromethylpyrimidin-4-ylamine. This chemical's molecular formula is C5H3ClF3N3 and molecular weight is 197.5456. What's more, its IUPAC name is 6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine. 

Physical properties about 4-Pyrimidinamine, 6-chloro-2-(trifluoromethyl)- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 35.08; (8)ACD/KOC (pH 7.4): 35.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 36.54 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 14.48×10-24 cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.598 g/cm3; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 43.88 kJ/mol; (21)Boiling Point: 202.6 °C at 760 mmHg; (22)Vapour Pressure: 0.29 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nc(N)cc(Cl)n1
(2) InChI: InChI=1/C5H3ClF3N3/c6-2-1-3(10)12-4(11-2)5(7,8)9/h1H,(H2,10,11,12)
(3) InChIKey: UQLPLJKPRIYXRJ-UHFFFAOYAM