Benzene (C6H6)

Benzene presents a C6 framework, aromatic rings (formula C6H6, CAS 71-43-2). ChemicalHelper Reaction can propose ranked disconnections for Benzene from the SMILES c1ccccc1.

Target: Benzene
CAS: 71-43-2
Formula: C6H6
Approx. MW: 78.11
SMILES: c1ccccc1
PubChem CID: 241
Approx. carbons: C6

Benzene structure

Properties

IUPAC name: benzene
Common names: benzene; 71-43-2; benzol; Cyclohexatriene; benzole; Pyrobenzole; Benzine; Coal naphtha; Pyrobenzol; Benzen
Molecular weight: 78.11
Exact mass: 78.05
InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
Melting point: 41.9 °F (NTP, 1992)
Boiling point: 176.2 °F at 760 mmHg (NTP, 1992)
Density: 0.879 at 68 °F (USCG, 1999) - Less dense than water; will float

View on PubChem

Benzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Benzene?

Benzene has molecular formula C6H6. Molecular weight about 78.11 g·mol⁻¹.

What is the CAS number of Benzene?

The CAS Registry Number for Benzene is 71-43-2.

Run AI retrosynthesis for Benzene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H6.

Related targets

Similar compounds

(3-bromophenyl)boronic Acid (3-hydroxyphenyl)boronic Acid 1-(thiophen-3-yl)ethanone 1-aminobenzotriazole 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.