CAS No.56041-57-7,2,3-Dichloroacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56041-57-7
Name:	2,3-Dichloroacetophenone
Article Data:	6

Formula:	C₈H₆Cl₂O
Molecular Weight:	189.041
Synonyms:	1-(2,3-Dichlorophenyl)ethanone;2,3-Dichloroacetophenone;2',3'-Dichloroacetophenone;
EINECS:	259-954-3
Density:	1.304 g/cm³
Melting Point:	106℃
Boiling Point:	247.3 °C at 760 mmHg
Flash Point:	101.3 °C
Appearance:	colorless to pale yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/38 37
Safety:	26-36/37/39
PSA:	17.07000
LogP:	3.19600

Synthetic route

: 95-50-1
1,2-dichloro-benzene

: 56041-57-7
2',3'-dichloroacetophenone

Conditions

Conditions	Yield
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane	75%
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane	75%

: 54798-91-3
2,3-Dichloro-α-methylbenzyl alcohol

: sodium hydrogensulfite

: 56041-57-7
2',3'-dichloroacetophenone

Conditions

Conditions	Yield
With sodium hypochlorite In acetic acid	65%
With sodium hypochlorite In acetic acid	65%

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

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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