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CAS No.: | 882500-21-2 |
---|---|
Name: | 5-Bromo-6-trifluoromethyl-pyridin-2-ylamine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H4BrF3N2 |
Molecular Weight: | 241.01 |
Synonyms: | 5-bromo-6-(trifluoromethyl)pyridin-2-amine |
Density: | 1.79g/cm3 |
Boiling Point: | 218.1 °C at 760 mmHg |
Flash Point: | 85.7 °C |
PSA: | 38.91000 |
LogP: | 3.02630 |
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The 2-Pyridinamine,5-bromo-6-(trifluoromethyl)-, with CAS registry number 882500-21-2, has the systematic name of 5-Bromo-6-(trifluoromethyl)pyridin-2-amine. Besides this, it is also called 5-Bromo-6-trifluoromethyl-pyridin-2-ylamine. And the chemical formula of this chemical is C6H4BrF3N2.
Physical properties of 2-Pyridinamine,5-bromo-6-(trifluoromethyl)-: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 198.11; (6)ACD/BCF (pH 7.4): 198.12; (7)ACD/KOC (pH 5.5): 1533.63; (8)ACD/KOC (pH 7.4): 1533.73; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 41.25 cm3; (15)Molar Volume: 134.6 cm3; (16)Polarizability: 16.35×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.79 g/cm3; (19)Flash Point: 85.7 °C; (20)Enthalpy of Vaporization: 45.45 kJ/mol; (21)Boiling Point: 218.1 °C at 760 mmHg; (22)Vapour Pressure: 0.128 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1Br)C(F)(F)F)N
(2)InChI: InChI=1/C6H4BrF3N2/c7-3-1-2-4(11)12-5(3)6(8,9)10/h1-2H,(H2,11,12)
(3)InChIKey: DNDAEASRGBLZCN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H4BrF3N2/c7-3-1-2-4(11)12-5(3)6(8,9)10/h1-2H,(H2,11,12)
(5)Std. InChIKey: DNDAEASRGBLZCN-UHFFFAOYSA-N