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CAS No.: | 875664-46-3 |
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Name: | 4-BROMO-2-FLUORO-6-(TRIFLUOROMETHYL)ANILINE |
Molecular Structure: | |
Formula: | C7H4BrF4N |
Molecular Weight: | 258.013 |
Synonyms: | 4-Bromo-2-fluoro-6-(trifluoromethyl)aniline; |
Density: | 1.771 g/cm3 |
Boiling Point: | 195.7 °C at 760 mmHg |
Flash Point: | 72.1 °C |
Hazard Symbols: | Xn; Xi |
Transport Information: | UN 2081 |
PSA: | 26.02000 |
LogP: | 3.77040 |
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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