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CAS No.: | 34486-22-1 |
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Name: | 4-Amino-2-chloro-6-(trifluoromethyl)pyridine |
Molecular Structure: | |
Formula: | C6H4ClF3N2 |
Molecular Weight: | 196.559 |
Synonyms: | 4-Pyridinamine, 2-chloro-6-(trifluoromethyl)-; |
Density: | 1.507 g/cm3 |
Boiling Point: | 261 °C at 760 mmHg |
Flash Point: | 111.7 °C |
PSA: | 38.91000 |
LogP: | 2.91720 |
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The 4-Amino-2-chloro-6-(trifluoromethyl)pyridine, with the CAS registry number 34486-22-1, is also known as 4-Pyridinamine, 2-chloro-6-(trifluoromethyl)-. This chemical's molecular formula is C6H4ClF3N2 and molecular weight is 196.559. What's more, its systematic name is 2-Chloro-6-(trifluoromethyl)pyridin-4-amine.
Physical properties about 4-Amino-2-chloro-6-(trifluoromethyl)pyridine are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.13; (6)ACD/BCF (pH 7.4): 88.13; (7)ACD/KOC (pH 5.5): 858.87; (8)ACD/KOC (pH 7.4): 858.88; (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: 1.501; (14)Molar Refractivity: 38.45 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 15.24×10-24 cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.507 g/cm3; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 49.87 kJ/mol; (21)Boiling Point: 261 °C at 760 mmHg; (22)Vapour Pressure: 0.0118 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(nc(Cl)c1)C(F)(F)F
(2) InChI: InChI=1/C6H4ClF3N2/c7-5-2-3(11)1-4(12-5)6(8,9)10/h1-2H,(H2,11,12)
(3) InChIKey: MXOHYUGYDQGRGI-UHFFFAOYAD