Basic information
- Name:
Benzenemethanamine,5-fluoro-2-(trifluoromethyl)-
- Superlist Name:
- 5-Fluoro-2-(trifluoromethyl)benzylamine
- CAS No.:
231291-14-8
- Molecular Structure:
- Formula:
- C8H7F4N
- Molecular Weight:
- 193.14
- Synonyms:
- 1-[5-Fluoro-2-(trifluoromethyl)phenyl]methanamine;2-Trifluoromethyl-5-fluorobenzylamine;5-Fluoro-2-(trifluoromethyl)benzylamine;[(5-Fluoro-2-trifluoromethylphenyl)methyl]amine;
- Density:
- 1.312g/cm3
- Boiling Point:
- 171.6 °C at 760 mmHg
- Flash Point:
- 68.6 °C
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39 Details
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Specification
The 5-Fluoro-2-(trifluoromethyl)benzylamine is an organic compound with the formula C8H7F4N. The IUPAC name of this chemical is [5-fluoro-2-(trifluoromethyl)phenyl]methanamine. With the CAS registry number 231291-14-8, it is also named as 1-[5-Fluoro-2-(trifluoromethyl)phenyl]methanamine.
Physical properties about 5-Fluoro-2-(trifluoromethyl)benzylamine are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): -1.01; (3)ACD/LogD (pH 7.4): 0.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 11.92; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 39.67 cm3; (14)Molar Volume: 147.1 cm3; (15)Polarizability: 15.72×10-24cm3; (16)Surface Tension: 27.6 dyne/cm; (17)Density: 1.312 g/cm3; (18)Flash Point: 68.6 °C; (19)Enthalpy of Vaporization: 40.8 kJ/mol; (20)Boiling Point: 171.6 °C at 760 mmHg; (21)Vapour Pressure: 1.39 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(cc(F)cc1)CN
(2)InChI: InChI=1/C8H7F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H,4,13H2
(3)InChIKey: ZRDWPCJUMDGSCG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H7F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H,4,13H2
(5)Std. InChIKey: ZRDWPCJUMDGSCG-UHFFFAOYSA-N
