4-Methylbiphenyl

C13H12CAS 644-08-6168.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H12
Molar mass
168.24 g/mol
Exact mass
168.0939 Da
Melting point
49.5 °C
Boiling point
267.5 °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
644-08-6
SMILES
Cc1ccc(-c2ccccc2)cc1
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
InChI
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3

Weigh it out

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

Names and synonyms

12 names
  • 1,1′-Biphenyl, 4-methyl-
  • Biphenyl, 4-methyl-
  • 4-Methyl-1,1′-biphenyl
  • 4-Methyldiphenyl
  • p-Methylbiphenyl
  • p-Methyldiphenyl
  • p-Phenyltoluene
  • 4-Phenyltoluene
  • (4-Methylphenyl)benzene
  • 1-Methyl-4-phenylbenzene
  • NSC 407669
  • p-Methylphenyl benzene

Work with 4-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

Di-p-tolyl613-33-275 % similar Toluene108-88-369 % similar N,N'-Diphenyl-N,N'-di-P-tolyl- benzidine20441-06-965 % similar para-Quaterphenyl135-70-663 % similar P-Quinquephenyl3073-05-063 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-663 % similar Terphenyl92-94-463 % similar P-Xylene106-42-356 % 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 3-Methylbiphenyl643-93-6 2-Methylbiphenyl648-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook