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4252-78-2

Basic Information
CAS No.: 4252-78-2
Name: 2,2',4'-Trichloroacetophenone
Article Data: 26
Molecular Structure:
Molecular Structure of 4252-78-2 (2,2',4'-Trichloroacetophenone)
Formula: C8H5Cl3O
Molecular Weight: 223.486
Synonyms: Acetophenone,2,2',4'-trichloro- (6CI,7CI,8CI);2,4,2'-Trichloroacetophenone;2,4-Dichlorophenacyl chloride;2-Chloro-1-(2,4-dichlorophenyl)ethanone;2-Chloro-1-(2',4'-dichlorophenyl)ethanone;Chloromethyl 2,4-dichlorophenylketone;a,2,4-Trichloroacetophenone;w-Chloro-2,4-dichloroacetophenone;
EINECS: 224-218-2
Density: 1.43 g/cm3
Melting Point: 47-54 °C(lit.)
Boiling Point: 292.2 °C at 760 mmHg
Flash Point: 122.1 °C
Solubility: Insoluble in water
Appearance: yellow crystalline powder
Hazard Symbols: IrritantXi,CorrosiveC,DangerousN, ToxicT
Risk Codes: 37/38-41-43-51/53-34-23/24/25
Safety: 26-36/37/39-61-45
Transport Information: UN 1759
PSA: 17.07000
LogP: 3.41490
Synthetic route
79-04-9

chloroacetyl chloride

541-73-1

1,3-Dichlorobenzene

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With aluminum (III) chloride at 30℃; for 3h; Friedel-Crafts Acylation;93.1%
With aluminum (III) chloride In dichloromethane at 20℃;90%
With aluminum (III) chloride In dichloromethane for 3h; Reflux;86%
79-07-2

Chloroacetamide

541-73-1

1,3-Dichlorobenzene

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With potassium chloride; tin(ll) chloride at 65℃; for 5h; Temperature; Concentration;93%
79-04-9

chloroacetyl chloride

95-50-1

1,2-dichloro-benzene

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With aluminum (III) chloride at 30 - 50℃; Friedel-Crafts Acylation;88.5%
2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

A

2274-66-0

2,2-dichloro-1-(2,4-dichlorophenyl)ethan-1-one

B

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With chloro-trimethyl-silane; potassium nitrate In dichloromethane at 60℃; for 16h;A n/a
B 73%
15289-81-3

Phosphorsaeure-<2-chlor-1-(2,4-dichlor-phenyl)-vinylester>-diisopropylester

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With toluene-4-sulfonic acid
With sulfuric acid at 165℃;
With toluene-4-sulfonic acid at 165℃;
1475-13-4

2,4-dichloro-α-methylbenzyl alcohol

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid In N,N-dimethyl-formamide at 25℃; for 6h;92 % Chromat.
7446-70-0

aluminium trichloride

79-04-9

chloroacetyl chloride

541-73-1

1,3-Dichlorobenzene

CS2

CS2

4252-78-2

2,2',4'-trichloroacetophenone

2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
With chlorine
With aluminum (III) chloride; chlorine In diethyl ether Cooling with ice;
2274-66-0

2,2-dichloro-1-(2,4-dichlorophenyl)ethan-1-one

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: TsOH / 165 °C
View Scheme
541-73-1

1,3-Dichlorobenzene

4252-78-2

2,2',4'-trichloroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h
1.2: Cooling with ice
2.1: aluminum (III) chloride; chlorine / diethyl ether / Cooling with ice
View Scheme
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    2,2',4'-Trichloroacetophenone Chemical Properties Melting point 47-54 °C(lit.) Boiling point 130-135 °C4 mm Hg(lit.) density 1,312 g/cm3 refractive index 1.5510 (estimate) Fp >230 °F solubility 60 mg/L (

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Specification

The Ethanone,2-chloro-1-(2,4-dichlorophenyl)-, with the CAS registry number 4252-78-2, is also known as Chloromethyl 2,4-dichlorophenylketone. It belongs to the product categories of Acetophenone Series; Econazole Nitrate. Its EINECS number is 224-218-2. This chemical's molecular formula is C8H5Cl3O and molecular weight is 223.48. What's more, its systematic name is 2-chloro-1-(2,4-dichlorophenyl)ethanone. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used as intermediates of pesticides and pharmaceutical. 

Physical properties of Ethanone,2-chloro-1-(2,4-dichlorophenyl)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.43; (6)ACD/BCF (pH 7.4): 106.43; (7)ACD/KOC (pH 5.5): 983.06; (8)ACD/KOC (pH 7.4): 983.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 50.92 cm3; (15)Molar Volume: 156.2 cm3; (16)Polarizability: 20.18×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 122.1 °C; (20)Enthalpy of Vaporization: 53.17 kJ/mol; (21)Boiling Point: 292.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00186 mmHg at 25°C.

Uses of Ethanone,2-chloro-1-(2,4-dichlorophenyl)-: it can be used to produce 2-chloro-1-(2,4-dichloro-phenyl)-ethanone oxime at the temperature of 20 °C. It will need reagent NH2OH·HCl and solvent methanol with the reaction time of 24 hours. The yield is about 68%.

Ethanone,2-chloro-1-(2,4-dichlorophenyl)- can be used to produce 2-chloro-1-(2,4-dichloro-phenyl)-ethanone oxime at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to respiratory system and skin and has a risk of serious damage to eyes. It may cause sensitisation by skin contact and can cause burns. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. You must avoid releasing it to the environment just refering to special instructions/safety data sheet. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1Cl)CCl
(2)Std. InChI: InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
(3)Std. InChIKey: VYWPPRLJNVHPEU-UHFFFAOYSA-N

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