Toluene (C7H8)

Toluene (C7H8; CAS 108-88-3) is a practical retrosynthesis target. Toluene presents a C7 framework, aromatic rings. Open AI route search in one click below.

Target: Toluene
CAS: 108-88-3
Formula: C7H8
Approx. MW: 92.14
SMILES: Cc1ccccc1
PubChem CID: 1140
Approx. carbons: C7

Toluene structure

Properties

IUPAC name: toluene
Common names: toluene; methylbenzene; toluol; 108-88-3; Phenylmethane; methacide; methylbenzol; antisal 1a; Benzene, methyl-; Toluen
Molecular weight: 92.14
Exact mass: 92.06
InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N
Melting point: -139 °F (NTP, 1992)
Boiling point: 231.1 °F at 760 mmHg (NTP, 1992)
Density: 0.867 at 68 °F (USCG, 1999) - Less dense than water; will float

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Toluene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Toluene?

Toluene has molecular formula C7H8. Molecular weight about 92.14 g·mol⁻¹.

What is the CAS number of Toluene?

The CAS Registry Number for Toluene is 108-88-3.

Run AI retrosynthesis for Toluene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H8.

Related targets

Similar compounds

(Trifluoromethoxy)benzene 1-(Dichloromethyl)-4-fluorobenzene 1-Chloro-4-(trifluoromethoxy)benzene 1-Iodo-4-(trifluoromethoxy)benzene 2-Ethoxypyridine 2-Methylbenzotriazole

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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.