3,3'-Dimethylbiphenyl

C₁₄H₁₄CAS 612-75-9182.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄
Molar mass: 182.27 g/mol
Exact mass: 182.1096 Da
Density: 1.0013 g/mL (at 20 °C)
Melting point: 9 °C
Boiling point: 280 °C
logP: 3.97Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

612-75-9

SMILES

Cc1cccc(-c2cccc(C)c2)c1

InChIKey

GVEDOIATHPCYGS-UHFFFAOYSA-N

InChI

InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

9 names

3,3′-Dimethylbiphenyl
1,1′-Biphenyl, 3,3′-dimethyl-
m,m′-Bitolyl
3,3′-Dimethyl-1,1′-biphenyl
3,3′-Ditolyl
m,m′-Bitoluene
3,3′-Bitolyl
NSC 60024
1-Methyl-3-(3-methylphenyl)benzene

Work with 3,3'-Dimethylbiphenyl

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-Methylbiphenyl643-93-689 % similar M-Xylene108-38-371 % similar 3-(3-Methylphenyl)benzaldehyde216443-78-662 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-459 % similar 3'-Methyl-biphenyl-3-carboxylic acid158619-46-655 % similar 3-Chlorotoluene108-41-855 % similar 3-Fluorotoluene352-70-555 % similar M-Terphenyl92-06-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bibenzyl103-29-7 4-Ethylbiphenyl5707-44-8 1,1-Diphenylethane612-00-0 Di-p-tolyl613-33-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook