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Molecule record

2-chloroethyl benzoate

C9H9ClO2

184.62 g/mol

Loading structure

Molecular properties

Formula
C9H9ClO2
Molar mass
184.62 g·mol−1
Exact mass
184.0291 Da
5
PubChem CID
95952

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • .BETA.-CHLOROETHYL BENZOATE
  • 2-Chloroethylbenzoate
  • 939-55-9
  • 987-886-0
  • AI3-19588
  • AKOS005198580
  • ANPPGQUFDXLAGY-UHFFFAOYSA-
  • B0068
Show all 24 synonyms
  • BETA-CHLOROETHYL BENZOATE
  • Benzoic acid 2-chloroethyl ester
  • CS-W016989
  • DTXCID80162357
  • DTXSID30239866
  • ETHANOL, 2-CHLORO-, 1-BENZOATE
  • Ethanol, 2-chloro-, benzoate
  • FT-0633160
  • InChI=1/C9H9ClO2
  • JD23EKE6Q9
  • MFCD00045290
  • NSC 44612
  • RefChem:470451
  • SCHEMBL1594034
  • UNII-JD23EKE6Q9
  • chloroethyl benzoate

Structure identifiers

Canonical SMILES
O=C(OCCCl)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C(=O)OCCCl
InChI
InChI=1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
ANPPGQUFDXLAGY-UHFFFAOYSA-N
PubChem CID
95952

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-chloroethyl benzoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-chloroethyl benzoate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record