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Molecule record

1-BROMOPROPANE

C3H7Br

122.99 g/mol

2D structure for 1-BROMOPROPANE

Molecular properties

Formula
C3H7Br
Molar mass
122.99 g·mol−1
Exact mass
121.9731 Da
0
0
0
0.00 Ų
2.1 (PubChem computed XLogP3-AA descriptor)
CAS
106-94-5
PubChem CID
7840

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkyl halide

Physical properties

PropertyValueConditionsSource
Logp2.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-BP, propane
  • 1-BROMO-PROPANE
  • 1-Bromopropane-d7
  • 1-Propyl bromide
  • 106-94-5
  • 203-445-0
  • BROMOPROPANE
  • Bromopropane, 1-
Show all 22 synonyms
  • CCRIS 30
  • CHEBI:47105
  • DTXCID401874
  • DTXSID6021874
  • HSDB 1068
  • MFCD00000254
  • N-Propyl bromide
  • Propane, 1-bromo-
  • Propane, bromo-
  • Propyl bromide
  • RefChem:430780
  • Y9746DNE68
  • n-propylbromide
  • propylbromide

Structure identifiers

Canonical SMILES
CCCBr
Isomeric SMILES
CCCBr
InChI
InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKey
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
PubChem CID
7840

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-BROMOPROPANE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-BROMOPROPANE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
1-BROMOPROPANE - Formula, Structure, Properties | ChemArche