2-Methylbiphenyl
Properties
- Molecular formula
- C13H12
- Molar mass
- 168.24 g/mol
- Exact mass
- 168.0939 Da
- Boiling point
- 255.3 °C
- Flash point
- 82.2 °C (closed cup)
- Water solubility
- insoluble
- logP
- 3.66Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.7% of notifiers
Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
648-53-3SMILES
CC1=CC=CC=C1C2=CC=CC=C2InChIKey
ALLIZEAXNXSFGD-UHFFFAOYSA-NInChI
InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Methylbiphenyl
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
O-Terphenyl84-15-158 % similar
2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-057 % similar
O-Xylene95-47-653 % similar
3-Methyl-2-phenylpyridine10273-90-250 % similar
2-Iodobiphenyl2113-51-150 % similar
(2'-Methyl-[1,1'-biphenyl]-2-yl)diphenylphosphine402822-72-448 % similar
4-Methyl-2,5-diphenylpyridine156021-08-847 % similar
2-Bromobiphenyl2052-07-546 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds