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

Model views

  • Benzene (CAS 71-43-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Benzene (CAS 71-43-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Benzene (CAS 71-43-2) – 2D structure, MolGod Viewer
    2D structure

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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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License & provenance ↓

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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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

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
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
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 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0668f0cf85cfa46701ea81bf61e18b1e1296de29cfe872e0281bd50d780e2cdd
MD5 (STL)
a35dfff8454b1afc62d7e9fcb0574cc1
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
not published yet
Free printable molecule model
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⚠️ The MolGod.org name and logo, including the raised logo on the base, are our trademark. The CC BY-SA 4.0 licence does not cover trademarks (section 2(b)(2)). Do not use the MolGod.org logo to brand your own products, in advertising, or in any way that suggests our endorsement without our written permission.

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