Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
Benzenemethanamine, 4-chloro-2-(trifluoromethyl)-; |
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