Benzophenol
Properties
- Molecular formula
- C6H6O
- Molar mass
- 94.11 g/mol
- Exact mass
- 94.0419 Da
- Density
- 1.07 g/mL
- Melting point
- 40.91 °C
- Boiling point
- 181.75 °C
- pKa
- 9.99 (25 °C)
- Flash point
- 79 °C (closed cup)
- Water solubility
- 50–100 g/L (18.9 °C)
- logP
- 1.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 604-001-00-2), via PubChem.
Precautionary statements
P203, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P361+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
108-95-2SMILES
Oc1ccccc1InChIKey
ISWSIDIOOBJBQZ-UHFFFAOYSA-NInChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Phenol
- Phenyl alcohol
- Monophenol
- ENT 1814
- NSC 36808
- 2-Allphenol
- Carbolic acid
- Hydroxybenzene
- Monohydroxybenzene
- Oxybenzene
- Phenic acid
- Phenyl hydrate
- Phenyl hydroxide
- Phenylic acid
- Phenylic alcohol
- Benzenol
Safety data sheets
2 stored sheets list this compound in section 3, matched by the CAS number 108-95-2. Each row opens the sheet with its composition and PDF.
Work with Benzophenol
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
Phenol formaldehyde resin9003-35-467 % similar
4-Phenylphenol92-69-365 % similar
Hydroquinone123-31-962 % similar
Resorcinol108-46-356 % similar
4-Benzylphenol101-53-155 % similar
4-Hydroxydiphenylamine122-37-255 % similar
Solvent yellow 71689-82-355 % similar
Bis(4-hydroxyphenyl)diphenylmethane1844-01-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.