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| CAS No.: | 703-91-3 |
|---|---|
| Name: | 5-Bromo-2-(trifluoromethyl)aniline |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H5BrF3N |
| Molecular Weight: | 240.023 |
| Synonyms: | o-Toluidine,5-bromo-a,a,a-trifluoro- (7CI,8CI);5-Bromo-2-trifluoromethylaniline; |
| Density: | 1.697 g/cm3 |
| Boiling Point: | 254.8 °C at 760 mmHg |
| Flash Point: | 107.9 °C |
| PSA: | 26.02000 |
| LogP: | 3.63130 |
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Specification
The Benzenamine,5-bromo-2-(trifluoromethyl)- is an organic compound with the formula C7H5BrF3N. The IUPAC name of this chemical is 5-bromo-2-(trifluoromethyl)aniline. With the CAS registry number 703-91-3, it is also named as 2-Amino-4-bromobenzotrifluoride.
Physical properties about Benzenamine,5-bromo-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.32; (4)#H bond acceptors: 1; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 26.02 Å2; (8)Index of Refraction: 1.522; (9)Molar Refractivity: 43.15 cm3; (10)Molar Volume: 141.4 cm3; (11)Polarizability: 17.1×10-24cm3; (12)Surface Tension: 33.7 dyne/cm; (13)Density: 1.697 g/cm3; (14)Flash Point: 107.9 °C; (15)Enthalpy of Vaporization: 49.23 kJ/mol; (16)Boiling Point: 254.8 °C at 760 mmHg; (17)Vapour Pressure: 0.0169 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Br)N)C(F)(F)F
(2)InChI: InChI=1/C7H5BrF3N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2
(3)InChIKey: OLFKWTOKOOPCTQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H5BrF3N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2
(5)Std. InChIKey: OLFKWTOKOOPCTQ-UHFFFAOYSA-N