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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 | Hazard Symbols | Xi | |
Synonyms |
1-(2,3-Dichlorophenyl)ethanone;2,3-Dichloroacetophenone;2',3'-Dichloroacetophenone; |
Article Data | 6 |
1,2-dichloro-benzene
2',3'-dichloroacetophenone
Conditions | Yield |
---|---|
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane | 75% |
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane | 75% |
2,3-Dichloro-α-methylbenzyl alcohol
2',3'-dichloroacetophenone
Conditions | Yield |
---|---|
With sodium hypochlorite In acetic acid | 65% |
With sodium hypochlorite In acetic acid | 65% |
methyl magnesium iodide
2,3-dichlorobenzonitrile
2',3'-dichloroacetophenone
2,3-Dichloro-α-methylbenzyl alcohol
2',3'-dichloroacetophenone
Conditions | Yield |
---|---|
With pyridinium chlorochromate In dichloromethane at 10 - 35℃; for 3h; Inert atmosphere; | 6 g |
2,3-dichlorobenzylaldehyde
2',3'-dichloroacetophenone
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 |
2',3'-dichloroacetophenone
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; |
2',3'-dichloroacetophenone
2-chloro-1-(2,3-dichlorophenyl)-ethanone
Conditions | Yield |
---|---|
With sulfuryl dichloride In tetrachloromethane at 20 - 45℃; for 120h; | 95% |
Conditions | Yield |
---|---|
Heating; | 90% |
2',3'-dichloroacetophenone
2,4-dichlorothiazole-5-carboxaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In ethanol Reflux; | 76% |
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