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Molecule record

1-bromo-2-methylpropane

C4H9Br

137.02 g/mol

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Molecular properties

Formula
C4H9Br
Molar mass
137.02 g·mol−1
Exact mass
135.9888 Da
0
PubChem CID
6555

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 1-Bromo-2-methyl-propane
  • 2Methylpropyl bromide
  • 5OEC0BW987
  • 78-77-3
  • AI3-18130
  • CCRIS 349
  • DTXCID2031112
  • DTXSID1052539
Show all 24 synonyms
  • EC 201-141-2
  • EINECS 201-141-2
  • HLVFKOKELQSXIQ-UHFFFAOYSA-N
  • ISOBUTYL BROMIDE
  • ISOBUTYL BROMIDE [MI]
  • InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H
  • NSC 8416
  • Propane, 1-bromo-2-methyl-
  • Propane, 1bromo2methyl
  • RefChem:75081
  • UN 2342
  • UN2342
  • UNII-5OEC0BW987
  • i-Butyl bromide
  • iso-Butyl bromide
  • iso-C4H9Br

Structure identifiers

Canonical SMILES
CC(C)CBr
Isomeric SMILES
CC(C)CBr
InChI
InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey
HLVFKOKELQSXIQ-UHFFFAOYSA-N
PubChem CID
6555

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 1-bromo-2-methylpropane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-bromo-2-methylpropane; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record