CAS No.117519-16-1,2-Bromo-6-trifluoromethyl-pyridin-3-ylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117519-16-1
Name:	2-Bromo-6-trifluoromethyl-pyridin-3-ylamine

Formula:	C₆H₄BrF₃N₂
Molecular Weight:	241.01
Synonyms:	3-Pyridinamine, 2-bromo-6-(trifluoromethyl)-;3-Amino-2-bromo-6-(trifluoromethyl)pyridine;
Density:	1.79 g/cm³
Boiling Point:	255.5 °C at 760 mmHg
Flash Point:	108.3 °C
PSA:	38.91000
LogP:	3.02630

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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