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2-Bromo-6-trifluoromethyl-pyridin-3-ylamine

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Name

2-Bromo-6-trifluoromethyl-pyridin-3-ylamine

EINECS N/A
CAS No. 117519-16-1 Density 1.79 g/cm3
PSA 38.91000 LogP 3.02630
Solubility N/A Melting Point N/A
Formula C6H4BrF3N2 Boiling Point 255.5 °C at 760 mmHg
Molecular Weight 241.01 Flash Point 108.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 117519-16-1 (2-Bromo-6-trifluoromethyl-pyridin-3-ylamine) Hazard Symbols N/A
Synonyms

3-Pyridinamine, 2-bromo-6-(trifluoromethyl)-;3-Amino-2-bromo-6-(trifluoromethyl)pyridine;

 

2-Bromo-6-trifluoromethyl-pyridin-3-ylamine Specification

The 2-Bromo-6-trifluoromethyl-pyridin-3-ylamine, with the CAS registry number 117621-64-4, is also known as 3-Amino-2-bromo-6-(trifluoromethyl)pyridine. This chemical's molecular formula is C6H4BrF3N2 and molecular weight is 241.01. What's more, its systematic name is 2-bromo-6-(trifluoromethyl)pyridin-3-amine.

Physical properties of 2-Bromo-6-trifluoromethyl-pyridin-3-ylamine are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.91 Å2; (9)Index of Refraction: 1.524; (10)Molar Refractivity: 41.25 cm3; (11)Molar Volume: 134.6 cm3; (12)Polarizability: 16.35×10-24 cm3; (13)Surface Tension: 38.3 dyne/cm; (14)Density: 1.79 g/cm3; (15)Flash Point: 108.3 °C; (16)Enthalpy of Vaporization: 49.3 kJ/mol; (17)Boiling Point: 255.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0163 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1N)Br)C(F)(F)F
(2)InChI: InChI=1S/C6H4BrF3N2/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H,11H2
(3)InChIKey: NCOWBQRCCMJSKW-UHFFFAOYSA-N

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