1-bromopropane (CAS 106-94-5)

1-Bromopropane

CAS 106-94-5  ·  C3H7Br  ·  MW 122.99 g/mol

1-bromopropane (CAS 106-94-5) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model 1-Bromopropane, CAS 106-94-5, molecular formula C3H7Br, molar mass 122.99 g/mol

Model views

  • 1-Bromopropane (CAS 106-94-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 1-Bromopropane (CAS 106-94-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 1-Bromopropane (CAS 106-94-5) – 2D structure, MolGod Viewer
    2D structure

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1-Bromopropane (CAS 106-94-5), C3H7Br - 3D ball-and-stick molecular model, engraved element symbols (C H Br), MolGod STL previewDownload image

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About 1-bromopropane (CAS 106-94-5)

1-bromopropane (CAS 106-94-5) is a chemical compound registered under number CAS 106-94-5, with the molecular formula C3H7Br, and a molar mass of 122.99 g/mol.

The molecule contains 11 atoms connected by 10 chemical bonds. The full systematic IUPAC name of this compound is 1-bromopropane. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.1 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC3H7Br
Molar mass122.99 g/mol
IUPAC1-bromopropane
SMILESCCCBr
InChIKeyCYNYIHKIEHGYOZ-UHFFFAOYSA-N
logP (XLogP3)2.1
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 7840 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08

H225 — Highly flammable liquid and vapour

? — H360FD — May damage fertility. May damage the unborn child

H335 — May cause respiratory irritation

H336 — May cause drowsiness or dizziness

H373 — May cause damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Related literature

5 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 5)

2010: number of articles 120102011: number of articles 12014: number of articles 120142017: number of articles 12025: number of articles 12025

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
1-BROMOPROPANE · 106-94-5 · N-Propyl bromide · Propyl bromide · Propane, 1-bromo- · 1-BROMO-PROPANE · propylbromide · n-propylbromide · CCRIS 30 · Y9746DNE68 · DTXCID401874 · CHEBI:47105 · 1-BP, propane · RefChem:430780 · 203-445-0
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
1-Bromopropane · 106-94-5
InChIKey
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1-Bromopropane (CAS 106-94-5)
License & provenance record
1-Bromopropane (CAS 106-94-5) →
MolGod molecule record
1-Bromopropane →
Source data
PubChem CID 7840 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
33943ed42899db969516c40c244d8245635aa6f85ee4a8efbbb73c8f7673d3a0
MD5 (STL)
664dc5825927c0b83fdb61864cd9cb77
MolGod Identification Number
MG_688-645-175-61
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277518) · NIH 3D (3DPX-023726) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 7840)
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