1,4-Dimethylnaphthalene

C₁₂H₁₂CAS 571-58-4156.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂
Molar mass: 156.23 g/mol
Exact mass: 156.0939 Da
Density: 1.016 g/mL (at 20 °C)
Melting point: 7.6 °C
Boiling point: 268 °C
logP: 3.46Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H304 May be fatal if swallowed and enters airwaysAspiration hazard
H319 Causes serious eye irritationSerious eye damage/eye irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 601-093-00-6), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P330, P331, P337+P317, P391, P405, P501

Identifiers

CAS number

571-58-4

SMILES

Cc1ccc(C)c2ccccc12

InChIKey

APQSQLNWAIULLK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Naphthalene, 1,4-dimethyl-
NSC 61779

Work with 1,4-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

1-Bromo-4-methylnaphthalene6627-78-767 % similar Methylnaphthalene1321-94-460 % similar 1-Methylnaphthalene90-12-060 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-458 % similar 4-Methyl-1-naphthaldehyde33738-48-658 % similar O-Xylene95-47-656 % similar 1,4,6,7-Tetramethylnaphthalene13764-18-656 % similar 4-Methyl-1-naphthoic acid4488-40-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethylnaphthalene1127-76-0 1,8-Dimethylnaphthalene569-41-5 1,5-Dimethylnaphthalene571-61-9 1,2-Dimethylnaphthalene573-98-8 1,7-Dimethylnaphthalene575-37-1 1,3-Dimethylnaphthalene575-41-7 1,6-Dimethylnaphthalene575-43-9 2,3-Dimethylnaphthalene581-40-8

Elsewhere

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