Benzene

Benzene

CAS 71-43-2  ·  C6H6  ·  MW 78.11 g/mol

Benzene (CAS 71-43-2) — 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 Benzene, CAS 71-43-2, molecular formula C6H6, molar mass 78.11 g/mol
About Benzene

Benzene is a chemical compound registered under number CAS 71-43-2, with the molecular formula C6H6, and a molar mass of 78.11 g/mol.

The molecule contains 12 atoms connected by 12 chemical bonds. The full systematic IUPAC name of this compound is benzene. 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 formulaC6H6
Molar mass78.11 g/mol
IUPACbenzene
SMILESc1ccccc1
InChIKeyUHOVQNZJYSORNB-UHFFFAOYSA-N
logP (XLogP3)2.1
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 241 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08

H225 — Highly flammable liquid and vapour

H350 — May cause cancer

H340 — May cause genetic defects

H304 — May be fatal if swallowed and enters airways

H372 — Causes damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Related literature

12 articles · 9 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 12)

1986: number of articles 119862005: number of articles 12007: number of articles 12012: number of articles 12017: number of articles 120172024: number of articles 52025: number of articles 12026: number of articles 12026

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
Benzene
Data sources
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Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277363) · NIH 3D (3DPX-023722) · Wikimedia Commons
Source structure: PubChem (CID 241)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
benzene (CAS 71-43-2), C6H6 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

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Model
benzene · 71-43-2
InChIKey
UHOVQNZJYSORNB-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — benzene (CAS 71-43-2)
License & provenance record
benzene (CAS 71-43-2) →
MolGod molecule record
benzene →
Source data
PubChem CID 241 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 97d4498f28a7 · generated 2026-10-04
SHA-256 (STL)
99c78d98eeb3979fab9bfee45500448b6d8a815d90940f2543f030d67931e1ae
MD5 (STL)
d2de2ae5cbef989e24e11001cc4c6527
MolGod Identification Number
MG_386-938-392-24
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.

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