Basic information
- CAS
39561-82-5- Standard SMILES
CC(=O)OCC(=O)c1ccc(Cl)cc1- InChIKey
FTUYTARZCNUSDA-UHFFFAOYSA-N- Molecular formula
- C10H9ClO3
- Average molar mass
- 212.63 g/mol
- Monoisotopic mass
- 212.02402183
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-oxoethyl acetate
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl] acetate
- English name
- 2-(4-Chlorophenyl)-2-oxoethyl acetate
- Molecular formula
- C10H9ClO3
- Molecular weight
- 212.62966
Names & synonyms
2-(4-Chlorophenyl)-2-oxoethyl acetate39561-82-5[2-(4-chlorophenyl)-2-oxoethyl] acetateMFCD006623202-Acetoxy-4'-chloroacetophenone2-(4-Chlorophenyl)-2-oxoethylacetate4-chlorophenacyl acetateSCHEMBL1155564DTXSID60343081AC8376AKOS005071885BB-0705
Show more names
2-(acetyloxy)-1-(4-chlorophenyl)ethanoneEthanone, 2-(acetyloxy)-1-(4-chlorophenyl)-
2-ACETOXY-4?-CHLOROACETOPHENONEDA-27946SY2630082-(4-Chlorophenyl)-2-oxoethyl acetate #CS-0452059acetic acid 2-(4-chlorophenyl)-2-oxo-ethyl esterF7735662-Acetoxy-4 inverted exclamation mark -chloroacetophenone
Database identifiers
- CAS
39561-82-5- PubChem CID
- 587254
- DTXSID
DTXSID60343081- Nikkaji
- J1.559.975H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 174 · 174-176°
- Boiling point
- 319.4 · 319.4±17.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety data
- hs_code
- 2918300090
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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