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| CAS No.: | 367-71-5 |
|---|---|
| Name: | 2,4-BIS(TRIFLUOROMETHYL)ANILINE |
| Molecular Structure: | |
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| Formula: | C8H5F6N |
| Molecular Weight: | 229.125 |
| Synonyms: | 2,4-Xylidine,a,a,a,a',a',a'-hexafluoro- (8CI);2,4-Di(trifluoromethyl)aniline;a,a,a,a',a',a'-Hexafluoro-2,4-xylidine; |
| Density: | 1.443 g/cm3 |
| Boiling Point: | 175.1 °C at 760 mmHg |
| Flash Point: | 69.8 °C |
| Hazard Symbols: |
 T;  Xn
|
| Risk Codes: | 23/24/25-33-36/38-36/37/38-20/21/22 |
| Safety: | 36/37/39-45 |
| PSA: | 26.02000 |
| LogP: | 3.88760 |
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Specification
The Benzenamine,2,4-bis(trifluoromethyl)-, with the CAS registry number 367-71-5, has the systematic name and IUPAC name of 2,4-bis(trifluoromethyl)aniline. It belongs to the product categories: Anilines, Aromatic Amines and Nitro Compounds. And the molecular formula of the chemical is C8H5F6N.
The characteristics of Benzenamine,2,4-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 384.45; (6)ACD/BCF (pH 7.4): 384.45; (7)ACD/KOC (pH 5.5): 2465.11; (8)ACD/KOC (pH 7.4): 2465.11; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 40.44 cm3; (15)Molar Volume: 158.7 cm3; (16)Polarizability: 16.03×10-24cm3; (17)Surface Tension: 22.9 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 69.8 °C; (20)Enthalpy of Vaporization: 41.15 kJ/mol; (21)Boiling Point: 175.1 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Besides, it is toxic by inhalation, in contact with skin and if swallowed, and has danger of cumulative effects. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1N)C(F)(F)F
(2)InChI: InChI=1/C8H5F6N/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3H,15H2
(3)InChIKey: UIWVOUBVGBJRNP-UHFFFAOYAN