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4'-Chloro-2,2,2-trifluoroacetophenone
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Name

4'-Chloro-2,2,2-trifluoroacetophenone

 EINECS 206-286-5
CAS No. 321-37-9 Density 1.396 g/cm3
PSA 17.07000 LogP 3.08500
Solubility N/A Melting Point 24-26 °C(lit.)
Formula C8H4ClF3O Boiling Point 218.3 °C at 760 mmHg
Molecular Weight 208.567 Flash Point 85.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 321-37-9 (4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE) Hazard Symbols IrritantXi
Synonyms

Acetophenone,4'-chloro-2,2,2-trifluoro- (6CI,7CI,8CI);1-(4-Chlorophenyl)-2,2,2-trifluoroethanone;1-Chloro-4-(trifluoroacetyl)benzene;2,2,2-Trifluoro-4'-chloroacetophenone;4-Chlorophenyl trifluoromethyl ketone;4'-Chloro-2,2,2-trifluoroacetophenone;4'-Chloro-a,a,a-trifluoroacetophenone;NSC405747;Trifluoromethyl 4-chlorophenyl ketone;p-Chloro-a,a,a-trifluoroacetophenone;p-Chlorophenyl trifluoromethyl ketone;a,a,a-Trifluoro-p-chloroacetophenone;

Article Data 28

4'-Chloro-2,2,2-trifluoroacetophenone Specification

The CAS register number of Ethanone,1-(4-chlorophenyl)-2,2,2-trifluoro- is 321-37-9. It also can be called as 2,2,2-Trifluoro-4'-chloroacetophenone and the systematic name about this chemical is 1-(4-chlorophenyl)-2,2,2-trifluoroethanone. The molecular formula about this chemical is C8H4ClF3O and the molecular weight is 208.56. Classification code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Ethanone,1-(4-chlorophenyl)-2,2,2-trifluoro- are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3) ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.93; (5)ACD/BCF (pH 7.4): 83.93; (6)ACD/KOC (pH 5.5): 829.36; (7)ACD/KOC (pH 7.4): 829.36; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.469; (12)Molar Refractivity: 41.63 cm3; (13)Molar Volume: 149.3 cm3; (14)Polarizability: 16.5x10-24cm3; (15)Surface Tension: 30.8 dyne/cm; (16)Enthalpy of Vaporization: 45.47 kJ/mol; (17)Boiling Point: 218.3 °C at 760 mmHg; (18)Vapour Pressure: 0.127 mmHg at 25°C.

Preparation: this chemical can be prepared by (4-chloro-phenyl)-magnesium bromide and trifluoroacetic acid. This reaction will need reagent diethyl ether.

Uses of Ethanone,1-(4-chlorophenyl)-2,2,2-trifluoro-: it can be used to produce (S)-2,2,2-trifluoro-1-(p-chlorophenyl)ethanol. This reaction will need reagent (S)-2,4-dimethyl-1-propyl-1,4-dihydro-pyridine-3-carboxylic acid (S)-1-phenyl-ethylamide, Mg(ClO4)2 and solvent acetonitrile.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of 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(c1ccc(Cl)cc1)C(F)(F)F
(2)InChI: InChI=1/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
(3)InChIKey: DYPQUENOGZXOGE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
(5)Std. InChIKey: DYPQUENOGZXOGE-UHFFFAOYSA-N

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