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| CAS No.: | 199292-40-5 |
|---|---|
| Name: | 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOPHENONE |
| Molecular Structure: | |
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| Formula: | C14H8F4O |
| Molecular Weight: | 268.2063 |
| Synonyms: | 2-Fluoro-5-trifluoromethylbenzophenone; |
| Density: | 1.306 g/cm3 |
| Boiling Point: | 332.2 °C at 760 mmHg |
| Flash Point: | 127.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 4.07550 |
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Specification
The CAS register number of Methanone,[2-fluoro-5-(trifluoromethyl)phenyl]phenyl- is 199292-40-5. It also can be called as 2-Fluoro-5-(trifluoromethyl)benzophenone and the IUPAC name about this chemical is [2-fluoro-5-(trifluoromethyl)phenyl]-phenylmethanone. The molecular formula about this chemical is C14H8F4O and the molecular weight is 268.21.
Physical properties about Methanone,[2-fluoro-5-(trifluoromethyl)phenyl]phenyl- are: (1)ACD/LogP: 3.98; (2)ACD/LogD (pH 5.5): 3.98; (3)ACD/LogD (pH 7.4): 3.98; (4)ACD/BCF (pH 5.5): 622.12; (5)ACD/BCF (pH 7.4): 622.12; (6)ACD/KOC (pH 5.5): 3479.04; (7)ACD/KOC (pH 7.4): 3479.04; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 61.01 cm3; (13)Molar Volume: 205.2 cm3; (14)Polarizability: 24.19x10-24cm3; (15)Surface Tension: 32.8 dyne/cm; (16)Flash Point: 127.3 °C; (17)Enthalpy of Vaporization: 57.49 kJ/mol; (18)Boiling Point: 332.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000148 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. When you are using it, wear suitable protective clothing. In case of contact 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(c1cc(ccc1F)C(F)(F)F)c2ccccc2
(2)InChI: InChI=1/C14H8F4O/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: SRXSIASKXYCRCC-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H8F4O/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9/h1-8H
(5)Std. InChIKey: SRXSIASKXYCRCC-UHFFFAOYSA-N