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CAS No.: | 7542-64-5 |
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Name: | ALPHA,ALPHA-DIBROMO-4-FLUOROACETOPHENONE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C8H5Br2FO |
Molecular Weight: | 295.934 |
Synonyms: | ALPHA,ALPHA-DIBROMO-4-FLUOROACETOPHENONE;ALPHA,ALPHA-DIBROMO-4-FLUOROACETOPHENONE;4-Fluoro-alpha,alpha-dibromoacetophenone;2,2-dibromo-4-fluoroacetophenone;4-fluoro-à,à-dibromoacetophenone;α,α-Dibromo-4-fluoroacetophenone;2,2-Dibromo-1-(4-fluorophenyl)ethan-1-one |
EINECS: | -0 |
Density: | 1.948 g/cm3 |
Melting Point: | 36-38°C |
Boiling Point: | 278.8 °C at 760 mmHg |
Flash Point: | 122.4 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 3.12430 |
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This chemical has the systematic name 2,2-Dibromo-1-(4-fluorophenyl)ethanone. With the CAS registry number 7542-64-5, it's also named as ethanone, 2,2-dibromo-1-(4-fluorophenyl)-. Its molecular formula is C8H5Br2FO and its molecular weight is 295.93. Additionally, this chemical should be stored in the cool and dry place.
Other characteristics of the 2,2-Dibromo-1-(4-fluorophenyl)ethanone can be summarised as followings: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.67; (6)ACD/BCF (pH 7.4): 138.67; (7)ACD/KOC (pH 5.5): 1188.05; (8)ACD/KOC (pH 7.4): 1188.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 51.69 cm3; (15)Molar Volume: 151.9 cm3; (16)Polarizability: 20.49×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.948 g/cm3; (19)Flash Point: 122.4 °C; (20)Enthalpy of Vaporization: 51.75 kJ/mol; (21)Boiling Point: 278.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00417 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(F)cc1)C(Br)Br
2.InChI: InChI=1/C8H5Br2FO/c9-8(10)7(12)5-1-3-6(11)4-2-5/h1-4,8H
3.InChIKey: XFFGHBAVJPOWDG-UHFFFAOYAG