3-Chloro-1-(4-fluorophenyl)propan-1-one supplier

Name
3-Chloro-1-(4-fluorophenyl)propan-1-one
EINECS
CAS No. 81112-09-6
Article Data3
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point 50-52 ºC
Formula CHClFO
Boiling Point 255.5 °C at 760 mmHg
Molecular Weight 186.613
Flash Point 108.3 °C
Transport Information
Appearance white crystal
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms ALPHA-CHLORO-4-FLUOROPROPIOPHENONE;ALPHA-CHLORO-4-FLUOROPROPIOPHENONE;2-Chloro-1-(4-fluorophenyl)-1-propanone;a-Chloro-4-fluoropropiophenone;α -Chloro-4-Fluoropropiophenone;1-Propanone, 2-chloro-1-(4-fluorophenyl)- (9CI);2-Chloro-4-fluoropropiophenone 98%;2-Chloro-4-fluoropropiophenone98%
PSA 17.07000
LogP 2.63570

3-Chloro-1-(4-fluorophenyl)propan-1-one Specification

The cas register number of 3-Chloro-1-(4-fluorophenyl)propan-1-one is 81112-09-6. It also can be called as alpha-Chloro-4'-fluoropropiophenone and the Systematic name about this chemical is (2R)-2-chloro-1-(4-fluorophenyl)propan-1-one.

Physical properties about 3-Chloro-1-(4-fluorophenyl)propan-1-one are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.19; (6)ACD/BCF (pH 7.4): 30.19; (7)ACD/KOC (pH 5.5): 398.9; (8)ACD/KOC (pH 7.4): 398.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 45.71 cm³; (15)Molar Volume: 153.4 cm³; (16)Surface Tension: 35.7 dyne/cm; (17)Density: 1.216 g/cm³; (18)Flash Point: 108.3 °C; (19)Enthalpy of Vaporization: 49.3 kJ/mol; (20)Boiling Point: 255.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0163 mmHg at 25°C.

Preparation of 2-chloro-1-(4-fluoro-phenyl)-propan-1-one: this chemical can be prepared by 2-chloro-propionyl chloride and fluorobenzene. This reaction needs reagent AlCl₃ . The reaction time is 3 hours. The yield is 92 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(c1ccc(F)cc1)C(Cl)C
2.InChI: InChI=1/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
3.InChIKey: AGQLOTJUTCKLOE-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3

Product Name

3-Chloro-1-(4-fluorophenyl)propan-1-one

3-Chloro-1-(4-fluorophenyl)propan-1-one Specification

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