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CAS No.: | 70028-88-5 |
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Name: | 3,4,5-TRIFLUOROBENZOPHENONE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C13H7F3O |
Molecular Weight: | 236.193 |
Synonyms: | 3,4,5-Trifluorobenzophenone;Phenyl-(3,4,5-trifluorophenyl)methanone; |
Density: | 1.31 g/cm3 |
Melting Point: | 161-165?°C(lit.) |
Boiling Point: | 320.2 °C at 760 mmHg |
Flash Point: | 146.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 3.33490 |
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The CAS registry number of Methanone,phenyl(3,4,5-trifluorophenyl)- is 70028-88-5. The IUPAC name is phenyl-(3,4,5-trifluorophenyl)methanone. In addition, the molecular formula is C13H7F3O and the molecular weight is 236.19. It is also called 3,4,5-trifluorobenzophenone. What's more, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant.
Physical properties about this chemical are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 104.93; (5)ACD/BCF (pH 7.4): 104.93; (6)ACD/KOC (pH 5.5): 973.12; (7)ACD/KOC (pH 7.4): 973.12; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 56.02 cm3; (13)Molar Volume: 180.1 cm3; (14)Polarizability: 22.21 ×10-24cm3; (15)Surface Tension: 38.3 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 146.3 °C; (18)Enthalpy of Vaporization: 56.19 kJ/mol; (19)Boiling Point: 320.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000322 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system 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: Fc2cc(C(=O)c1ccccc1)cc(F)c2F
(2)InChI: InChI=1/C13H7F3O/c14-10-6-9(7-11(15)12(10)16)13(17)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: BTQOMZVQASIULU-UHFFFAOYAO