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| CAS No.: | 384-67-8 |
|---|---|
| Name: | 2-CHLORO-2,2-DIFLUOROACETOPHENONE |
| Molecular Structure: | |
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| Formula: | C8H5ClF2O |
| Molecular Weight: | 190.577 |
| Synonyms: | Acetophenone, 2-chloro-2,2-difluoro- (6CI,7CI,8CI);Chlorodifluoromethyl phenyl ketone;NSC 42611; |
| EINECS: | -0 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 102-103 °C |
| Boiling Point: | 199.1 °C at 760 mmHg |
| Flash Point: | 74.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.70090 |
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Specification
The Ethanone, 2-chloro-2,2-difluoro-1-phenyl-, with CAS registry number 384-67-8, has the systematic name of 2-chloro-2,2-difluoro-1-phenylethanone. Besides this, it is also called Chlorodifluoroacetophenone. And the chemical formula of this chemical is C8H5ClF2O.
Physical properties of Ethanone, 2-chloro-2,2-difluoro-1-phenyl-: (1)ACD/LogP: 2.65; (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: 1.489; (8)Molar Refractivity: 41.42 cm3; (9)Molar Volume: 143.2 cm3; (10)Polarizability: 16.42×10-24cm3; (11)Surface Tension: 33.6 dyne/cm; (12)Density: 1.329 g/cm3; (13)Flash Point: 74.2 °C; (14)Enthalpy of Vaporization: 43.53 kJ/mol; (15)Boiling Point: 199.1 °C at 760 mmHg; (16)Vapour Pressure: 0.348 mmHg at 25°C.
Preparation: this chemical can be prepared by chloro-difluoro-acetic acid methyl ester and phenylmagnesium bromide. This reaction will need reagent diethyl ether. The reaction time is 4 hour(s) with reaction temperature of -60 ℃. The yield is about 82%.
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Uses of Ethanone, 2-chloro-2,2-difluoro-1-phenyl-: it can be used to produce 2-chloro-2,2-difluoro-1-phenyl-ethanol. This reaction will need reagent NaBH4.
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When you are using this chemical, please be cautious about it as the following:
The Ethanone, 2-chloro-2,2-difluoro-1-phenyl- 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(Cl)(F)F
(2)InChI: InChI=1/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: MNOONJNILVDLSW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
(5)Std. InChIKey: MNOONJNILVDLSW-UHFFFAOYSA-N