1-bromopropane (CAS 106-94-5)

1-Bromopropane

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

1-bromopropane (CAS 106-94-5) (CAS 106-94-5) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
Loading molecule...
3D model 1-Bromopropane, CAS 106-94-5, molecular formula C3H7Br, molar mass 122.99 g/mol
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 widget above may be used for educational, research and commercial purposes.

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

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
Buy in the shop
Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277519) · NIH 3D (3DPX-023726) · Wikimedia Commons
Source structure: PubChem (CID 7840)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
1-Bromopropane (CAS 106-94-5), C3H7Br - 3D ball-and-stick molecular model, engraved element symbols (C H Br), MolGod STL previewDownload image

MG_688-645-175-61 · engraved · 130,036 △ · 6 MB · SHA-256 345ab9368a24d1af

Download 3D model · ENGRAVED · C H Br

1-Bromopropane (CAS 106-94-5), C3H7Br - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_688-645-175-61 · normal · 4,480 △ · 219 KB · SHA-256 834b8d676cc69ed3

Download 3D model

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 97d4498f28a7 · generated 2026-10-04
SHA-256 (STL)
834b8d676cc69ed3fd9038dfbfde8bec366e57924d29ec329fc7a8a37c107929
MD5 (STL)
4d495d8a6d8a7ea2f3732cd79c3c6162
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

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

—