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CAS No.: | 537050-14-9 |
---|---|
Name: | 4-Fluoro-3-(trifluoromethyl)phenacyl bromid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H5BrF4O |
Molecular Weight: | 285.036 |
Synonyms: | 2-Bromo-1-(4-fluoro-3-trifluoromethylphenyl)ethanone; |
EINECS: | 689-991-4 |
Density: | 1.658 g/cm3 |
Melting Point: | 42-44 °C |
Boiling Point: | 249.7 °C at 760 mmHg |
Flash Point: | 104.8 °C |
Hazard Symbols: | C |
Risk Codes: | 22 |
PSA: | 17.07000 |
LogP: | 3.42210 |
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The 4-Fluoro-3-(trifluoromethyl)phenacyl bromid, with the CAS registry number 537050-14-9, is also known as Ethanone, 2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]-. This chemical's molecular formula is C9H5BrF4O and molecular weight is 285.03. Its systematic name is called 2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.
Physical properties of 4-Fluoro-3-(trifluoromethyl)phenacyl bromid: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.32; (4)ACD/BCF (pH 5.5): 197.82; (5)ACD/BCF (pH 7.4): 197.82; (6)ACD/KOC (pH 5.5): 1532.06; (7)ACD/KOC (pH 7.4): 1532.06; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 48.98 cm3; (12)Molar Volume: 171.8 cm3; (13)Surface Tension: 32 dyne/cm; (14)Density: 1.658 g/cm3; (15)Flash Point: 104.8 °C; (16)Enthalpy of Vaporization: 48.7 kJ/mol; (17)Boiling Point: 249.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0225 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1F)C(=O)CBr
(2)InChI: InChI=1/C9H5BrF4O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2
(3)InChIKey: BUNOSKWLVXNWEH-UHFFFAOYAC