3,5-Dimethylbiphenyl

HCID 86927

Notes Reactions

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Basic information

CAS: 17057-88-4
Standard SMILES: Cc1cc(C)cc(-c2ccccc2)c1
InChIKey: QUHIUAFQBFDMIQ-UHFFFAOYSA-N
Molecular formula: C14H14
Average molar mass: 182.26 g/mol
Monoisotopic mass: 182.10955045

Names & identifiers

Preferred name: 3,5-Dimethylbiphenyl
IUPAC: 1,3-dimethyl-5-phenylbenzene
English name: 3,5-Dimethyl-biphenyl
Molecular formula: C14H14
Molecular weight: 182.26

Names & synonyms

17057-88-43,5-Dimethyl-1,1'-biphenyl3,5-dimethylbiphenylWJ1G5X2V0VDTXSID70168883RefChem:1065938DTXCID8091374241-120-53,5-Dimethyl-biphenyl1,3-dimethyl-5-phenylbenzene1,1'-Biphenyl,3,5-dimethyl-1,1'-Biphenyl, 3,5-dimethyl-

Show more names

EINECS 241-120-5Biphenyl, 3,5-dimethyl-3,5-Dimethyl-biphenyl (>85%)MFCD09031096UNII-WJ1G5X2V0VSCHEMBL195576SCHEMBL698135SCHEMBL979766

Database identifiers

CAS: 17057-88-4
PubChem CID: 86927
DTXSID: DTXSID70168883
ChEMBL: CHEMBL464380
UNII: WJ1G5X2V0V
EC Number: 241-120-5
Nikkaji: J318.337H

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 22.5 °C · 22.5°C
Boiling point: 278.85 °C · 278.85°C
Density: 0.999 · 0.9990
refractive index: 1.5952 · 1.5952
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
FDA UNII: 1 G5X2V0V · WJ1G5X2V0V

Chemistry & industry

Applications

Uses3,5-Dimethyl-biphenyl is a useful reagent for organic synthesis. It is used in the preparation of orthopalladated complexes with multidentated ligands as catalyst for Suzuki and heck reactions.