2-(4-Chlorophenyl)-2-oxoethyl acetate

HCID 587254

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

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]

Related reactions

4 records

Compound notes

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