Toluene

C₇H₈CAS 108-88-392.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈
Molar mass: 92.14 g/mol
Exact mass: 92.0626 Da
Density: 0.8636 g/mL (at 20 °C)
Melting point: −94.9 °C
Boiling point: 110.6 °C
Flash point: 4 °C (closed cup)
Water solubility: 526 mg/L (25 °C)
logP: 2.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H304 May be fatal if swallowed and enters airwaysAspiration hazard
H315 Causes skin irritationSkin corrosion/irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
H361d *** Suspected of damaging the unborn childReproductive toxicity
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

108-88-3

SMILES

Cc1ccccc1

InChIKey

YXFVVABEGXRONW-UHFFFAOYSA-N

InChI

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Benzene, methyl-
Methylbenzene
Methacide
Methylbenzol
Phenylmethane
Toluol
Antisal 1a
CP 25
1-Methylbenzene
CP 25 (solvent)
NSC 406333

Reactions

Diels–Alder cycloaddition: cyclopentadiene + maleic anhydride → endo-norbornene-2,3-dicarboxylic anhydridesolvent

Safety data sheets

4 stored sheets list this compound in section 3, matched by the CAS number 108-88-3. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Toluene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Toluene-D82037-26-5Labelled

Similar compounds

4-Methylbiphenyl644-08-669 % similar P-Xylene106-42-367 % similar M-Xylene108-38-360 % similar Diphenyl-p-tolylphosphine1031-93-258 % similar 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine20440-95-358 % similar 4-Methyldiphenyl sulfide3699-01-258 % similar 4-Methyltriphenylamine4316-53-458 % similar 4-Methyldiphenylamine620-84-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Norbornadiene121-46-0 1,6-Heptadiyne2396-63-6 Quadricyclane278-06-8 Cycloheptatriene544-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia