3-Methylbiphenyl

C13H12CAS 643-93-6168.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H12
Molar mass
168.24 g/mol
Exact mass
168.0939 Da
Density
1.0182 g/mL (at 16.7 °C)
Melting point
4.5 °C
Boiling point
272.7 °C
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 37 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
643-93-6
SMILES
Cc1cccc(-c2ccccc2)c1
InChIKey
NPDIDUXTRAITDE-UHFFFAOYSA-N
InChI
InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1,1′-Biphenyl, 3-methyl-
  • Biphenyl, 3-methyl-
  • 3-Methyl-1,1′-biphenyl
  • 3-Methyldiphenyl
  • m-Methylbiphenyl
  • 3-Phenyltoluene
  • m-Phenyltoluene
  • (3-Methylphenyl)benzene

Work with 3-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

Similar compounds

3,3'-Dimethylbiphenyl612-75-989 % similar M-Xylene108-38-363 % similar M-Terphenyl92-06-863 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-461 % similar 3-(3-Methylphenyl)benzaldehyde216443-78-657 % similar Azulene275-51-456 % similar N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine65181-78-454 % similar Toluene108-88-353 % 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 2-Methylbiphenyl643-58-3 4-Methylbiphenyl644-08-6 2-Methylbiphenyl648-53-3

Elsewhere

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