2-Chloro-3-(trifluoromethyl)benzylamine supplier

Name
2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINE
EINECS
CAS No. 39226-96-5
Article Data1
CAS DataBase
Density 1.353 g/cm³
Solubility
Melting Point 35-38℃
Formula C₈H₇ClF₃N
Boiling Point 222.9 °C at 760 mmHg
Molecular Weight 209.598
Flash Point 88.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms 1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine;2-Chloro-3-(trifluoromethyl)benzenemethanamine;[2-Chloro-3-(trifluoromethyl)phenyl]methanamine;
PSA 26.02000
LogP 3.51780

2-Chloro-3-(trifluoromethyl)benzylamine Specification

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

Product Name

2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINE

2-Chloro-3-(trifluoromethyl)benzylamine Specification

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