2,7-Dimethylnaphthalene

C₁₂H₁₂CAS 582-16-1156.23 g/mol

Properties

Molecular formula: C₁₂H₁₂
Molar mass: 156.23 g/mol
Exact mass: 156.0939 Da
Melting point: 97 °C
Boiling point: 265 °C
logP: 3.46Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Not classified as hazardous under GHS by 3 ECHA notifiers. Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

582-16-1

SMILES

Cc1ccc2ccc(C)cc2c1

InChIKey

LRQYSMQNJLZKPS-UHFFFAOYSA-N

InChI

InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

2 names

Naphthalene, 2,7-dimethyl-
NSC 36851

Reactions

Nickel-catalyzed coupling of aryl O-carbamates with grignard reagents: 2,7-dimethylnaphthalene (Naphthalene, 2,7-dimethyl-)product

Work with 2,7-Dimethylnaphthalene

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

2,6-Dimethylnaphthalene581-42-081 % similar 2-Methylnaphthalene91-57-674 % similar 3,6-Dimethylphenanthrene1576-67-663 % similar 6-Methylisoquinoline42398-73-252 % similar 2,6-Dimethylquinoline877-43-052 % similar P-Xylene106-42-350 % similar 6-Methylindole3420-02-850 % similar 5-Methylindole614-96-050 % similar

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

Same formula

1-Ethylnaphthalene1127-76-0 1,8-Dimethylnaphthalene569-41-5 1,4-Dimethylnaphthalene571-58-4 1,5-Dimethylnaphthalene571-61-9 1,2-Dimethylnaphthalene573-98-8 1,7-Dimethylnaphthalene575-37-1 1,3-Dimethylnaphthalene575-41-7 1,6-Dimethylnaphthalene575-43-9

Elsewhere

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