1-Methylnaphthalene

C11H10CAS 90-12-0142.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C11H10
Molar mass
142.20 g/mol
Exact mass
142.0783 Da
Density
1.03 g/mL
Melting point
−22 °C
Boiling point
240–243 °C
Flash point
82.2 °C (closed cup)
Water solubility
25 mg/L (25 °C)
logP
3.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 1,882 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P301+P317, P330, P331, P391, P405, P501

Identifiers

CAS number
90-12-0
SMILES
Cc1cccc2ccccc12
InChIKey
QPUYECUOLPXSFR-UHFFFAOYSA-N
InChI
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Naphthalene, 1-methyl-
  • α-Methylnaphthalene
  • NSC 3574
  • Methynaph H
  • Mechinafu H

Work with 1-Methylnaphthalene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methylnaphthalene1321-94-4

Similar compounds

1,5-Dimethylnaphthalene571-61-968 % similar 1,4-Dimethylnaphthalene571-58-460 % similar 2,3,5-Trimethylnaphthalene2245-38-758 % similar 1,7-Dimethylnaphthalene575-37-158 % similar 1,6-Dimethylnaphthalene575-43-958 % similar 1,2-Dimethylnaphthalene573-98-856 % similar 1,8-Dimethylnaphthalene569-41-555 % similar 1,3-Dimethylnaphthalene575-41-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,6-Methano[10]annulene2443-46-1 2-Methylnaphthalene91-57-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia