4-Chlorophenyl Acetate

HCID 13410

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Basic information

CAS: 876-27-7
Standard SMILES: CC(=O)Oc1ccc(Cl)cc1
InChIKey: KEUPLGRNURQXAR-UHFFFAOYSA-N
Molecular formula: C8H7ClO2
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.0134572

Names & identifiers

Preferred name: 4-Chlorophenyl Acetate
IUPAC: (4-chlorophenyl) acetate
English name: 4-Chlorophenol acetate
Molecular formula: C8H7ClO2
Molecular weight: 170.59

Names & synonyms

4-Chlorophenyl acetateAcetic acid, 4-chlorophenyl esterAcetic acid, p-chlorophenyl ester1-acetoxy-4-chlorobenzene4-acetoxychlorobenzene4-Acetoxyphenyl chlorideChlorophenyl acetate, p-NSC-48669DTXSID80236502NSC48669257V8765874-Chlorobenzeneacetate

Show more names

p-chlorophenylacetatep-Chlorophenyl acetatep-chloro-phenoacetatep-Acetoxychlorobenzene4-Chlorophenol acetatePARA-CHLOROPHENYLACETATEPhenol, p-chloro-, acetateAcetic acid 4-chlorophenyl

(p-chlorophenyl)acetateRefChem:985994-Chlorophenyl Ester Acetic AcidDTXCID40158993Acetic acid, 4-chlorophenyl ester (9CI)(4-chlorophenyl)acetate4-chlorophenyl acetic acid4-chlorophenylacetate

Database identifiers

CAS: 876-27-7
PubChem CID: 13410
DTXSID: DTXSID80236502
ChEMBL: CHEMBL449814
UNII: 257V876587
Nikkaji: J33.481B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1203；1224；1203；1224；1228；1206.3；1202.5

1870

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
EWG's Food Scores: 1 · 1
FDA UNII: 257 V876587 · 257V876587
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338