Basic information
- CAS
21886-56-6- Standard SMILES
O=C(CCl)c1cccc(Cl)c1- InChIKey
AVUVSYIYUADCKE-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O
- Average molar mass
- 189.04 g/mol
- Monoisotopic mass
- 187.97957017
Names & identifiers
- Preferred name
- Ethanone, 2-chloro-1-(3-chlorophenyl)-
- IUPAC
- 2-chloro-1-(3-chlorophenyl)ethanone
- English name
- 2,3'-Dichloroacetophenone
- Molecular formula
- C8H6Cl2O
- Molecular weight
- 189.04
Names & synonyms
21886-56-6Ethanone, 2-chloro-1-(3-chlorophenyl)-DTXSID7073432RefChem:341416DTXCID40365662,3'-Dichloroacetophenone2-chloro-1-(3-chlorophenyl)ethanone3-chlorophenacyl chloride2-chloro-1-(3-chlorophenyl)ethan-1-onem-chlorophenacyl chlorideMFCD0778397523'-Dichloroacetophenone
Show more names
2,3'-Dichloroacetoph2,3-Dichloracetophenoneα,3-DICHLOROACETOPHENONEA,3-DICHLOROACETOPHENONEalpha ,3-Dichloroacetophenone2,3''-DICHLOROACETOPHENONE 99+%3-CHLORO-ALPHA-CHLOROACETOPHENONEα-chloro-chlorophenyl ethyl ketone
2-Chloro-1-(3-chlorophenyl)-1-ethanone; 2-Chloro-1-(3-chlorophenyl)ethanone; 2'-Chloro-3-chloroacetophenone; 3-Chlorophenacyl Chloride; m-Chlorophenacyl Chloride2-chloro-1-(3-chlorophenyl)ethane-1-one2,3''-DichloroacetophenoneSCHEMBL979332-Chloro-3'-chloroacetophenoneSCHEMBL29621003AVUVSYIYUADCKE-UHFFFAOYSA-NSBB063943
Database identifiers
- CAS
21886-56-6- PubChem CID
- 168006
- DTXSID
DTXSID7073432- Nikkaji
- J1.816.365I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 283.7 · 283.7±20.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- solid
- color
- White
- CAS DataBase Reference
- 21886 · 21886-56-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Ethanone, 2-chloro-1-(3-chlorophenyl)- (21886-56-6)
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 331 · H331-H334-H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazard Codes
- C
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914790090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- C
- Hazard statements
- H331-H334-H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2,3''-Dichloroacetophenone is used as a reagent in the synthesis of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β). Also used as a reagent in the synthesis of benzimidazolyl pyridinones as insulin-like growth factor I (IGF-1R) kinase inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
Related reactions
12 records
Compound notes
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