3-fluoro-4-(trifluoromethyl)benzylamine (235106-09-9)

The IUPAC name of 3-Fluoro-4-(trifluoromethyl)benzylamine is [3-fluoro-4-(trifluoromethyl)phenyl]methanamine. With the CAS registry number 235106-09-9, it is also named as Benzenemethanamine,3-fluoro-4-(trifluoromethyl)-. The product's molecular formula is C₈H₇F₄N and its molecular weight is 193.14. In addition, it is yellow or colorless liquid and air sensitive, which should be stored in closed, cool, ventilated and dry place and under nitrogen.

The other characteristics of 3-Fluoro-4-(trifluoromethyl)benzylamine can be summarized as: (1)ACD/LogP: 1.74 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -1.04 ; (4)ACD/LogD (pH 7.4): 0.55 ; (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): 13.74 ; (9)H bond acceptors: 1 ; (10)H bond donors: 2 ; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.451 ; (13)Molar Refractivity: 39.67 cm³ ; (14)Molar Volume: 147.1 cm³ ; (15)Surface Tension: 27.6 dyne/cm ; (16)Density: 1.312 g/cm³ ; (17)Flash Point: 85 °C ; (18)Enthalpy of Vaporization: 43.13 kJ/mol ; (19)Boiling Point: 195.1 °C at 760 mmHg ; (20)Vapour Pressure: 0.427 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 3-Fluoro-4-(trifluoromethyl)benzylamine may cause burns. And when you use it, you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)c1ccc(cc1F)CN
(2)InChI:InChI=1/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-H,4,13H2
(3)InChIKey:XYWYEOHNURYGGP-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
(5)Std. InChIKey:XYWYEOHNURYGGP-UHFFFAOYSA-N