1,3-Benzenediamine,2-chloro-5-(trifluoromethyl)- (34207-44-8)

The 4-Chloro-3,5-diaminobenzotrifluoride with the CAS number 34207-44-8 is also called 1,3-Benzenediamine,2-chloro-5-(trifluoromethyl)-. The systematic name is 2-chloro-5-(trifluoromethyl)benzene-1,3-diamine. Its molecular formula is C₇H₆ClF₃N₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Chloro-3,5-diaminobenzotrifluoride are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 248; (6)ACD/BCF (pH 7.4): 248; (7)ACD/KOC (pH 5.5): 1802; (8)ACD/KOC (pH 7.4): 1803; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 44.6 cm³; (15)Molar Volume: 139.455 cm³; (16)Polarizability: 17.681×10^-24cm³; (17)Surface Tension: 40.599 dyne/cm; (18)Enthalpy of Vaporization: 50.821 kJ/mol; (19)Vapour Pressure: 0.007 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to respiratory system and danger of cumulative effects. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(N)c1Cl)C(F)(F)F
(2)InChI: InChI=1/C7H6ClF3N2/c8-6-4(12)1-3(2-5(6)13)7(9,10)11/h1-2H,12-13H2
(3)InChIKey: YCWXOQCYLKOSKL-UHFFFAOYAC