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4-Chloro-2-(trifluoromethyl)benzylamine

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Name

4-Chloro-2-(trifluoromethyl)benzylamine

EINECS N/A
CAS No. 771583-81-4 Density 1.353 g/cm3
PSA 26.02000 LogP 3.51780
Solubility N/A Melting Point N/A
Formula C8H7ClF3N Boiling Point 202.3 °C at 760 mmHg
Molecular Weight 209.598 Flash Point 76.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 771583-81-4 (4-Chloro-2-(trifluoromethyl)benzylamine) Hazard Symbols N/A
Synonyms

Benzenemethanamine, 4-chloro-2-(trifluoromethyl)-;

 

4-Chloro-2-(trifluoromethyl)benzylamine Specification

The 4-Chloro-2-(trifluoromethyl)benzylamine, with the CAS registry number of 771583-81-4, is also known as Benzenemethanamine, 4-chloro-2-(trifluoromethyl)-. Its molecular formula is C8H7ClF3N and molecular weight is 209.6. What's more, its systematic name is 1-[4-Chloro-2-(trifluoromethyl)phenyl]methanamine.

Physical properties about the 4-Chloro-2-(trifluoromethyl)benzylamine are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.14; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 25.54; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 44.57 cm3; (14)Molar Volume: 154.8 cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Density: 1.353 g/cm3; (17)Flash Point: 76.2 °C; (18)Enthalpy of Vaporization: 43.85 kJ/mol; (19)Boiling Point: 202.3 °C at 760 mmHg; (20)Vapour Pressure: 0.294 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCc1ccc(Cl)cc1C(F)(F)F
(2) InChI: InChI=1/C8H7ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2
(3) InChIKey: VPKIGWHSTBKRTA-UHFFFAOYAA

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