Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4,6-Trifluorobenzylamine |
EINECS | N/A |
CAS No. | 214759-21-4 | Density | 1.32 g/cm3 |
PSA | 26.02000 | LogP | 2.26290 |
Solubility | Slightly Soluble in water (1.2 g/L) (25°C). | Melting Point |
N/A |
Formula | C7H6F3N | Boiling Point | 164.8 °C at 760 mmHg |
Molecular Weight | 161.127 | Flash Point | 63 °C |
Transport Information | UN 2735 | Appearance | N/A |
Safety | 20-26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2,4,6-Trifluorophenyl)methanamine; |
Article Data | 9 |
The 2,4,6-Trifluorobenzyl amine, with CAS registry number 214759-21-4, belongs to the following product category: Halide. It has the systematic name of 1-(2,4,6-trifluorophenyl)methanamine. Besides this, it is also called 2,4,6-Trifluorobenzyl amine. And the chemical formula of this chemical is C7H6F3N.
Physical properties of 2,4,6-Trifluorobenzyl amine: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.69; (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: 1.48; (14)Molar Refractivity: 34.68 cm3; (15)Molar Volume: 122 cm3; (16)Polarizability: 13.75×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 63 °C; (20)Enthalpy of Vaporization: 40.13 kJ/mol; (21)Boiling Point: 164.8 °C at 760 mmHg; (22)Vapour Pressure: 1.93 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)cc(F)c1CN
(2)InChI: InChI=1/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2
(3)InChIKey: RCHOKTKXVKKNBC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2
(5)Std. InChIKey: RCHOKTKXVKKNBC-UHFFFAOYSA-N