2-Methylbiphenyl

C13H12CAS 643-58-3168.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H12
Molar mass
168.24 g/mol
Exact mass
168.0939 Da
Density
1.0113 g/mL (at 20 °C)
Melting point
−0.2 °C
Boiling point
255.5 °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
Irritant (GHS07)

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
643-58-3
SMILES
Cc1ccccc1-c1ccccc1
InChIKey
ALLIZEAXNXSFGD-UHFFFAOYSA-N
InChI
InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1,1′-Biphenyl, 2-methyl-
  • Biphenyl, 2-methyl-
  • 2-Methyl-1,1′-biphenyl
  • o-Methylbiphenyl
  • o-Phenyltoluene
  • 2-Phenyltoluene
  • NSC 5321
  • o-Methylphenyl benzene
  • 1-Methyl-2-phenylbenzene

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.

2-Methylbiphenyl648-53-3

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

Same formula

Diphenylmethane101-81-5 1-(2-Propen-1-yl)naphthalene2489-86-3 1-Cyclopropylnaphthalene25033-19-6 3-Methylbiphenyl643-93-6 4-Methylbiphenyl644-08-6

Elsewhere

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