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79614-64-5

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Basic Information
CAS No.: 79614-64-5
Name: 2-Pyridinamine, 3,5-dichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethy l)phenyl)-4-methyl-
Molecular Structure:
Molecular Structure of 79614-64-5 (2-Pyridinamine, 3,5-dichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethy l)phenyl)-4-methyl-)
Formula: C13H6Cl3F3N4O4
Molecular Weight: 445.5653
Synonyms: 2-Pyridinamine, 3,5-dichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethy l)phenyl)-4-methyl-
Density: 1.726 g/cm3
Boiling Point: 408.1 °C at 760 mmHg
Flash Point: 200.6 °C
PSA: 116.56000
LogP: 7.04840
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    2-Pyridinamine, 3,5-dichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-4-methyl- cas 79614-64-5

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Specification

The CAS registry number of 2-Pyridinamine, 3,5-dichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-4-methyl- is 79614-64-5. This chemical's molecular formula is C13H6Cl3F3N4O4 and molecular weight is 445.5653. What's more, both its IUPAC name and systematic name are the same which is called 3,5-Dichloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine.

Physical properties about 2-Pyridinamine, 3,5-dichloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-4-methyl- are: (1)ACD/LogP: 8.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.29; (4)ACD/LogD (pH 7.4): 8.29; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 774557.81; (8)ACD/KOC (pH 7.4): 774558.63; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 107.77 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 91.29 cm3; (15)Molar Volume: 258 cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.726 g/cm3; (18)Flash Point: 200.6 °C; (19)Enthalpy of Vaporization: 66.01 kJ/mol; (20)Boiling Point: 408.1 °C at 760 mmHg; (21)Vapour Pressure: 7.15E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(c([N+]([O-])=O)c(Cl)c(c1)C(F)(F)F)Nc2ncc(Cl)c(c2Cl)C
(2) InChI: InChI=1/C13H6Cl3F3N4O4/c1-4-6(14)3-20-12(8(4)15)21-10-7(22(24)25)2-5(13(17,18)19)9(16)11(10)23(26)27/h2-3H,1H3,(H,20,21)
(3) InChIKey: JKPIDASMRMDKJH-UHFFFAOYAY