Benzene
Properties
- Molecular formula
- C6H6
- Molar mass
- 78.11 g/mol
- Exact mass
- 78.0470 Da
- Density
- 0.8787 g/mL (at 15 °C)
- Melting point
- 5.5 °C
- Boiling point
- 80.1 °C
- Flash point
- -11 °C (closed cup)
- Water solubility
- 1.8 g/L (25 °C)
- logP
- 1.69Crippen 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
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H340 May cause genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
- H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 601-020-00-8), via PubChem.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P318, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
71-43-2SMILES
c1ccccc1InChIKey
UHOVQNZJYSORNB-UHFFFAOYSA-NInChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzol
- Coal naphtha
- Cyclohexatriene
- Phene
- Phenyl hydride
- Pyrobenzol
- Benzole
- Pyrobenzole
- [6]Annulene
- 1,3,5-Cyclohexatriene
- NSC 67315
Reactions
Safety data sheets
2 stored sheets list this compound in section 3, matched by the CAS number 71-43-2. Each row opens the sheet with its composition and PDF.
Work with Benzene
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
Cyclooctadecanonaene2040-73-5100 % similar
Pyridine110-86-133 % similar
(Benzene)ruthenium dichloride dimer37366-09-933 % similar
Biphenyl92-52-433 % similar
para-Quaterphenyl135-70-630 % similar
Azulene275-51-430 % similar
P-Quinquephenyl3073-05-030 % similar
1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-630 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.