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Molecule record

2-bromoethyl benzoate

C9H9BrO2

229.07 g/mol

Loading structure

Molecular properties

Formula
C9H9BrO2
Molar mass
229.07 g·mol−1
Exact mass
227.9786 Da
5
PubChem CID
523090

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

  • 2-Bromoethyl Benzoate (~90%)
  • 2-Bromoethyl benzoate, 98%
  • 2-bromoethylbenzoate
  • 628-389-8
  • 72PB6FLV4E
  • 939-54-8
  • AKOS005203196
  • B0065
Show all 24 synonyms
  • BS-22296
  • Benzoic acid 2-bromoethyl ester
  • Bromoet
  • Bromoethyl Benzoate
  • CS-0156543
  • DTXCID30286239
  • DTXSID30335150
  • FT-0647417
  • InChI=1/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
  • KNBBDZULQFKSIE-UHFFFAOYSA-
  • KNBBDZULQFKSIE-UHFFFAOYSA-N
  • MFCD00059462
  • RefChem:85867
  • SCHEMBL561869
  • SY052379
  • beta-Bromoethyl benzoate

Structure identifiers

Canonical SMILES
O=C(OCCBr)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C(=O)OCCBr
InChI
InChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
KNBBDZULQFKSIE-UHFFFAOYSA-N
PubChem CID
523090

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-bromoethyl benzoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-bromoethyl 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