-
Name
4-BROMO-2-FLUORO-6-(TRIFLUOROMETHYL)ANILINE
- EINECS
- CAS No. 875664-46-3
- Density 1.771 g/cm3
- Solubility
- Melting Point
- Formula C7H4BrF4N
- Boiling Point 195.7 °C at 760 mmHg
- Molecular Weight 258.013
- Flash Point 72.1 °C
- Transport Information UN 2081
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xn; 
Xi
- Synonyms 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline;
- PSA 26.02000
- LogP 3.77040
Benzenamine,4-bromo-2-fluoro-6-(trifluoromethyl)- Specification
The Benzenamine,4-bromo-2-fluoro-6-(trifluoromethyl)-, with CAS registry number 875664-46-3, belongs to the following product category: Anilines, Aromatic Amines and Nitro Compounds. It has the systematic name of 4-bromo-2-fluoro-6-(trifluoromethyl)aniline. And the chemical formula of this chemical is C7H4BrF4N.
Physical properties of Benzenamine,4-bromo-2-fluoro-6-(trifluoromethyl)-: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.56; (6)ACD/BCF (pH 7.4): 219.56; (7)ACD/KOC (pH 5.5): 1650.77; (8)ACD/KOC (pH 7.4): 1650.77; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 43.15 cm3; (15)Molar Volume: 145.6 cm3; (16)Polarizability: 17.1×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.771 g/cm3; (19)Flash Point: 72.1 °C; (20)Enthalpy of Vaporization: 43.19 kJ/mol; (21)Boiling Point: 195.7 °C at 760 mmHg; (22)Vapour Pressure: 0.414 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(Br)cc1F)C(F)(F)F
(2)InChI: InChI=1/C7H4BrF4N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
(3)InChIKey: FWIDRROZQFRPCM-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H4BrF4N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
(5)Std. InChIKey: FWIDRROZQFRPCM-UHFFFAOYSA-N
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