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Molecule record

3-bromohexane

C6H13Br

165.07 g/mol

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Molecular properties

Formula
C6H13Br
Molar mass
165.07 g·mol−1
Exact mass
164.0201 Da
0
PubChem CID
18806

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 222-174-9
  • 3-Hexyl Bromide
  • 3-bromo-hexane
  • 3377-87-5
  • AKOS009156550
  • AZ67PZ328N
  • BP-10278
  • CS-0320329
Show all 24 synonyms
  • D78429
  • DB-048491
  • DTXCID50818692
  • DTXSID20871017
  • EINECS 222-174-9
  • Hexane, 3-bromo-
  • IOZOJWNUKLCDML-UHFFFAOYSA-N
  • MFCD00039181
  • NS00049870
  • RefChem:93246
  • SCHEMBL1748936
  • SCHEMBL2801364
  • SCHEMBL574546
  • SCHEMBL7863623
  • SCHEMBL7873005
  • SCHEMBL7875987

Structure identifiers

Canonical SMILES
CCCC(Br)CC
Isomeric SMILES
CCCC(CC)Br
InChI
InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChIKey
IOZOJWNUKLCDML-UHFFFAOYSA-N
PubChem CID
18806

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 3-bromohexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-bromohexane; 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