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2',3'-Dichloroacetophenone

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Name

2',3'-Dichloroacetophenone

EINECS 259-954-3
CAS No. 56041-57-7 Density 1.304 g/cm3
PSA 17.07000 LogP 3.19600
Solubility N/A Melting Point 106℃
Formula C8H6Cl2O Boiling Point 247.3 °C at 760 mmHg
Molecular Weight 189.041 Flash Point 101.3 °C
Transport Information N/A Appearance colorless to pale yellow liquid
Safety 26-36/37/39 Risk Codes 36/38 37
Molecular Structure Molecular Structure of 56041-57-7 (2,3-Dichloroacetophenone) Hazard Symbols IrritantXi
Synonyms

1-(2,3-Dichlorophenyl)ethanone;2,3-Dichloroacetophenone;2',3'-Dichloroacetophenone;

Article Data 6

2',3'-Dichloroacetophenone Synthetic route

95-50-1

1,2-dichloro-benzene

56041-57-7

2',3'-dichloroacetophenone

Conditions
ConditionsYield
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane75%
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane75%
54798-91-3

2,3-Dichloro-α-methylbenzyl alcohol

sodium hydrogensulfite

56041-57-7

2',3'-dichloroacetophenone

Conditions
ConditionsYield
With sodium hypochlorite In acetic acid65%
With sodium hypochlorite In acetic acid65%
917-64-6

methyl magnesium iodide

6574-97-6

2,3-dichlorobenzonitrile

56041-57-7

2',3'-dichloroacetophenone

6574-97-6

2,3-dichlorobenzonitrile

75-16-1

methylmagnesium bromide

56041-57-7

2',3'-dichloroacetophenone

54798-91-3

2,3-Dichloro-α-methylbenzyl alcohol

56041-57-7

2',3'-dichloroacetophenone

Conditions
ConditionsYield
With pyridinium chlorochromate In dichloromethane at 10 - 35℃; for 3h; Inert atmosphere;6 g
6334-18-5

2,3-dichlorobenzylaldehyde

56041-57-7

2',3'-dichloroacetophenone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetrahydrofuran / 3 h / 0 - 35 °C / Inert atmosphere
2: pyridinium chlorochromate / dichloromethane / 3 h / 10 - 35 °C / Inert atmosphere
View Scheme
56041-57-7

2',3'-dichloroacetophenone

2-bromo-1-(2,3-dichlorophenyl)ethanone

Conditions
ConditionsYield
With bromine In dichloromethane at 20℃;100%
With bromine In dichloromethane at 0 - 20℃;100%
With bromine In chloroform at 20℃;
With N-Bromosuccinimide; trimethylsilyl trifluoromethanesulfonate In acetonitrile at 40℃; Darkness;
56041-57-7

2',3'-dichloroacetophenone

182913-78-6

2-chloro-1-(2,3-dichlorophenyl)-ethanone

Conditions
ConditionsYield
With sulfuryl dichloride In tetrachloromethane at 20 - 45℃; for 120h;95%
56041-57-7

2',3'-dichloroacetophenone

4637-24-5

N,N-dimethyl-formamide dimethyl acetal

C11H11Cl2NO

Conditions
ConditionsYield
Heating;90%
56041-57-7

2',3'-dichloroacetophenone

92972-48-0

2,4-dichlorothiazole-5-carboxaldehyde

(E)-1-(2,3-dichlorophenyl)-3-(2,4-dichlorothiazol-5-yl)prop-2-en-1-one

Conditions
ConditionsYield
With hydrogenchloride; acetic acid In ethanol Reflux;76%

2',3'-Dichloroacetophenone Specification

The Ethanone,1-(2,3-dichlorophenyl)-, with CAS registry number 56041-57-7, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-(2,3-dichlorophenyl)ethanone. This chemical is a kind of colorless to pale yellow liquid. And it should be stored in cool, dry place.

Physical properties of Ethanone,1-(2,3-dichlorophenyl)-: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.45; (6)ACD/BCF (pH 7.4): 80.45; (7)ACD/KOC (pH 5.5): 804.61; (8)ACD/KOC (pH 7.4): 804.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 46.07 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 18.26×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 48.45 kJ/mol; (19)Vapour Pressure: 0.0258 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,3-dichlorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Clc1c(C(=O)C)cccc1Cl
(2)InChI: InChI=1/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
(3)InChIKey: KMABBMYSEVZARZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
(5)Std. InChIKey: KMABBMYSEVZARZ-UHFFFAOYSA-N

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