4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE

The Benzenamine,4-(trifluoromethyl)-, hydrochloride (1:1) with CAS registry number of 90774-69-9 is also known as 4-Aminobenzotrifluoride hydrochloride. The IUPAC name is 4-(Trifluoromethyl)aniline hydrochloride. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds. Its EINECS registry number is 292-679-7. In addition, the formula is C₇H₆F₃N.ClH and the molecular weight is 197.59. This chemical is a yellow granular powder and should be sealed in cool, dry place away from oxidants, acid, alkali and so on.

Physical properties about Benzenamine,4-(trifluoromethyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.83; (5)ACD/BCF (pH 7.4): 17.86; (6)ACD/KOC (pH 5.5): 273.52; (7)ACD/KOC (pH 7.4): 274.02; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 86.7 °C; (12)Enthalpy of Vaporization: 42.62 kJ/mol; (13)Boiling Point: 190 °C at 760 mmHg; (14)Vapour Pressure: 0.554 mmHg at 25 °C.

Preparation of Benzenamine,4-(trifluoromethyl)-, hydrochloride (1:1): it is prepared by reaction of (4-trifluormethyl-phenyl)-magensium-bromid. The reaction needs reagents [3,5-(CF₃)₂C₆H₃]₂CNOTs, HCl and solvents toluene, diethyl ether, H₂O at the temperature of 25 °C for 1 hour in two steps. The yield is about 71%.

Uses of Benzenamine,4-(trifluoromethyl)-, hydrochloride (1:1): it is used to produce N-(p-trifluoromethylphenyl)phosphoramidic dichloride. The reaction occurs with solvent POCl₃ and other condition of heating for 4 hours. The yield is about 89%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)N.Cl
2. InChI: InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H
3. InChIKey: CZGDYZDUMJDQSD-UHFFFAOYSA-N