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CAS No.: | 39226-96-5 |
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Name: | 2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H7ClF3N |
Molecular Weight: | 209.598 |
Synonyms: | 1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine;2-Chloro-3-(trifluoromethyl)benzenemethanamine;[2-Chloro-3-(trifluoromethyl)phenyl]methanamine; |
Density: | 1.353 g/cm3 |
Melting Point: | 35-38℃ |
Boiling Point: | 222.9 °C at 760 mmHg |
Flash Point: | 88.6 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 26.02000 |
LogP: | 3.51780 |
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The Benzenemethanamine, 2-chloro-3-(trifluoromethyl)-, with the CAS registry number 39226-96-5, is also known as [2-Chloro-3-(trifluoromethyl)phenyl]methanamine. This chemical's molecular formula is C8H7ClF3N and molecular weight is 209.60. What's more, its systematic name is 1-[2-chloro-3-(trifluoromethyl)phenyl]methanamine. It is air sensitive.
Physical properties of Benzenemethanamine, 2-chloro-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 26.08; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 44.57 cm3; (15)Molar Volume: 154.8 cm3; (16)Polarizability: 17.67×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 88.6 °C; (20)Enthalpy of Vaporization: 45.94 kJ/mol; (21)Boiling Point: 222.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0991 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cccc1CN)C(F)(F)F
(2)Std. InChI: InChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2
(3)Std. InChIKey: GRFVQNWTQVWNBY-UHFFFAOYSA-N