Toluene
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 Ų
- 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, index 601-021-00-3), 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
108-88-3SMILES
Cc1ccccc1InChIKey
YXFVVABEGXRONW-UHFFFAOYSA-NInChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3Weigh 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
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.
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.
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.