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| CAS No.: | 395-01-7 |
|---|---|
| Name: | 2,2-DIFLUOROACETOPHENONE |
| Article Data: | 57 |
| Molecular Structure: | |
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| Formula: | C8H6F2O |
| Molecular Weight: | 156.132 |
| Synonyms: | 2,2-DIFLUOROACETOPHENONE;2,2-DIFLUORO-1-PHENYLETHANONE;A,A-DIFLUOROACETOPHENONE;ALPHA,ALPHA-DIFLUOROACETOPHENONE;Ethanone, 2,2-difluoro-1-phenyl- (9CI);2,2-Difluoroacetophenone,95%;2,2-Difluoro-1-phenylethan-1-one;2,2-Difluoroacetophenone 97% |
| Density: | 1.18g/cm3 |
| Melting Point: | 48-50°C |
| Boiling Point: | 194.6 °C at 760 mmHg |
| Flash Point: | 71.9 °C |
| Solubility: | Immiscible with water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.13440 |
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Specification
The 2,2-Difluoro-1-phenyl-ethanone, with CAS registry number 395-01-7, belongs to the following product category: Acetylhalide. It has the systematic name of 2,2-difluoro-1-phenylethanone. Besides this, it is also called 2,2-Difluoroacetophenone. And the chemical formula of this chemical is C8H6F2O.
Physical properties of 2,2-Difluoro-1-phenyl-ethanone: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.465; (8)Molar Refractivity: 36.56 cm3; (9)Molar Volume: 132.2 cm3; (10)Polarizability: 14.49×10-24cm3; (11)Surface Tension: 29.7 dyne/cm; (12)Density: 1.18 g/cm3; (13)Flash Point: 71.9 °C; (14)Enthalpy of Vaporization: 43.08 kJ/mol; (15)Boiling Point: 194.6 °C at 760 mmHg; (16)Vapour Pressure: 0.439 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2,2-Difluoro-1-phenyl-ethanone irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(c1ccccc1)C(F)F
(2)InChI: InChI=1/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
(3)InChIKey: OLYKCPDTXVZOQF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
(5)Std. InChIKey: OLYKCPDTXVZOQF-UHFFFAOYSA-N