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| Name |
4-(Trifluoromethyl) aniline |
EINECS | N/A |
| CAS No. | 88239-63-8 | Density | 1.286 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H6F3N | Boiling Point | 190 °C at 760 mmHg |
| Molecular Weight | 161.1244 | Flash Point | 86.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-(Trifluormethyl)anilin;4-(trifluoromethyl)aniline;4-(Trifluoromethyl)benzenamine;4-Aminobenzotrifluoride;Aniline, p-(trifluoromethyl)-;Benzenamine, 4-(trifluoromethyl)-;p-(Trifluoromethyl)aniline;p-Aminobenzotrifluoride;p-Toluidine, α,α, α-trifluoro-;α,α, α-Trifluoro-p-toluidine;p-Amino-α,α,α-trifluorotoluene; |
4-(Trifluoromethyl) aniline Specification
The IUPAC name of this chemical is 4-(Trifluoromethyl) aniline. With the CAS registry number 88239-63-8, it is also named as Aniline, p-(trifluoromethyl)-. In addition, the molecular formula is C7H6F3N and the molecular weight is 161.1244.
Physical properties about this chemical are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.83; (6)ACD/BCF (pH 7.4): 17.86; (7)ACD/KOC (pH 5.5): 273.52; (8)ACD/KOC (pH 7.4): 274.02; (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: 1.478; (14)Molar Refractivity: 35.46 cm3; (15)Molar Volume: 125.2 cm3; (16)Polarizability: 14.06 ×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 86.7 °C Enthalpy of Vaporization: 42.62 kJ/mol; (20)Boiling Point: 190 °C at 760 mmHg Vapour Pressure: 0.554 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)c1ccc(N)cc1
(2)InChI:InChI=1/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
(3)InChIKey:ODGIMMLDVSWADK-UHFFFAOYAY
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