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7096-39-1

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Basic Information
CAS No.: 7096-39-1
Name: 2-Bromo-2,2-difluoroethylamine
Molecular Structure:
Molecular Structure of 7096-39-1 (2-Bromo-2,2-difluoroethylamine)
Formula: C2H4BrF2N
Molecular Weight: 159.96
Synonyms: 2-Bromo-2,2-difluoroethylamine;
Density: 1.79 g/cm3
Boiling Point: 117 °C at 760 mmHg
Flash Point: 24.6 °C
Hazard Symbols: IrritantXi
PSA: 26.02000
LogP: 1.63310
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Specification

The 2-Bromo-2,2-difluoroethylamine with its cas register number is 7096-39-1. The Systematic name about this chemical is 2-bromo-2,2-difluoroethanamine.

Physical properties about 2-Bromo-2,2-difluoroethylamine are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 3.33; (6)ACD/KOC (pH 5.5): 33.21; (7)ACD/KOC (pH 7.4): 81.83; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 22.87 cm3; (14)Molar Volume: 89.3 cm3; (15)Polarizability: 9.06X10-24cm3; (16)Surface Tension: 28.8 dyne/cm; (17)Enthalpy of Vaporization: 35.53 kJ/mol; (18)Vapour Pressure: 17.8 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(F)(F)CN
(2)InChI: InChI=1/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2
(3)InChIKey: INKAHVFOZPBNHQ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2
(5)Std. InChIKey: INKAHVFOZPBNHQ-UHFFFAOYSA-N