CAS No.321-37-9,4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	321-37-9
Name:	4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE
Article Data:	28

Formula:	C₈H₄ClF₃O
Molecular Weight:	208.567
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;
EINECS:	206-286-5
Density:	1.396 g/cm³
Melting Point:	24-26 °C(lit.)
Boiling Point:	218.3 °C at 760 mmHg
Flash Point:	85.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	17.07000
LogP:	3.08500

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- China (Mainland)(40)
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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