Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-2-fluoro-5-(trifluoromethyl)aniline |
EINECS | N/A |
CAS No. | 104460-70-0 | Density | 1.771g/cm3 |
PSA | 26.02000 | LogP | 3.77040 |
Solubility | N/A | Melting Point |
35-37 °C |
Formula | C7H4BrF4N | Boiling Point | 209.1 °C at 760 mmHg |
Molecular Weight | 258.013 | Flash Point | 80.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-2-fluoro-5-(trifluoromethyl)aniline; |
Article Data | 2 |
The 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline is an organic compound with the formula C7H4BrF4N. The IUPAC name of this chemical is 4-bromo-2-fluoro-5-(trifluoromethyl)aniline. With the CAS registry number 104460-70-0, it is also named as Benzenamine, 4-bromo-2-fluoro-5-(trifluoromethyl)-. The product's categories are Anilines, Aromatic Amines and Nitro Compounds.
Physical properties about 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline are: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 480.42; (5)ACD/BCF (pH 7.4): 480.45; (6)ACD/KOC (pH 5.5): 2891.34; (7)ACD/KOC (pH 7.4): 2891.51; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 43.15 cm3; (14)Molar Volume: 145.6 cm3; (15)Polarizability: 17.1×10-24cm3; (16)Surface Tension: 32.5 dyne/cm; (17)Density: 1.771 g/cm3; (18)Flash Point: 80.3 °C; (19)Enthalpy of Vaporization: 44.54 kJ/mol; (20)Boiling Point: 209.1 °C at 760 mmHg; (21)Vapour Pressure: 0.206 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(c(F)cc1Br)N
(2)InChI: InChI=1/C7H4BrF4N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
(3)InChIKey: UYVDMCXPDGRLEC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H4BrF4N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
(5)Std. InChIKey: UYVDMCXPDGRLEC-UHFFFAOYSA-N