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Ethanone,1-(4-chloro-2,5-difluorophenyl)-

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Name

Ethanone,1-(4-chloro-2,5-difluorophenyl)-

EINECS N/A
CAS No. 655-12-9 Density 1.348 g/cm3
PSA 17.07000 LogP 2.82080
Solubility N/A Melting Point N/A
Formula C8H5ClF2O Boiling Point 241.7 °C at 760 mmHg
Molecular Weight 190.577 Flash Point 100 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 655-12-9 (4'-CHLORO-2',5'-DIFLUOROACETOPHENONE) Hazard Symbols IrritantXi
Synonyms

Acetophenone,4'-chloro-2',5'-difluoro- (7CI,8CI);1-(4-Chloro-2,5-difluorophenyl)ethanone;4'-Chloro-2',5'-difluoroacetophenone;

 

Ethanone,1-(4-chloro-2,5-difluorophenyl)- 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%.

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

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