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| CAS No.: | 655-12-9 |
|---|---|
| Name: | 4'-CHLORO-2',5'-DIFLUOROACETOPHENONE |
| Molecular Structure: | |
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| Formula: | C8H5ClF2O |
| Molecular Weight: | 190.577 |
| Synonyms: | Acetophenone,4'-chloro-2',5'-difluoro- (7CI,8CI);1-(4-Chloro-2,5-difluorophenyl)ethanone;4'-Chloro-2',5'-difluoroacetophenone; |
| Density: | 1.348 g/cm3 |
| Boiling Point: | 241.7 °C at 760 mmHg |
| Flash Point: | 100 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 2.82080 |
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- Total:23 Page 1 of 1 1
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Specification
The Ethanone,1-(4-chloro-2,5-difluorophenyl)-, with the CAS registry number 655-12-9, is also known as 4'-Chloro-2',5'-difluoroacetophenone 97%. This chemical's molecular formula is C8H5ClF2O and molecular weight is 190.57. Its systematic name is called 1-(4-chloro-2,5-difluorophenyl)ethanone.
Physical properties of Ethanone,1-(4-chloro-2,5-difluorophenyl)-: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.16; (5)ACD/BCF (pH 7.4): 14.16; (6)ACD/KOC (pH 5.5): 232.05; (7)ACD/KOC (pH 7.4): 232.05; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 41.16 cm3; (12)Molar Volume: 141.3 cm3; (13)Surface Tension: 34.5 dyne/cm; (14)Density: 1.348 g/cm3; (15)Flash Point: 100 °C; (16)Enthalpy of Vaporization: 47.86 kJ/mol; (17)Boiling Point: 241.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0354 mmHg at 25°C.
Uses of Ethanone,1-(4-chloro-2,5-difluorophenyl)-: it can be used to produce 2-amino-7-chloro-6-fluoro-4-methylquinazoline at temperature of 135 °C. This reaction will need solvent N,N-dimethyl-acetamide with reaction time of 5 hours. The yield is about 33%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)C)c(F)cc1Cl
(2)InChI: InChI=1/C8H5ClF2O/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,1H3
(3)InChIKey: XLBICEUZJHYFQG-UHFFFAOYAY