1,5-Dimethylnaphthalene
Properties
- Molecular formula
- C12H12
- Molar mass
- 156.23 g/mol
- Exact mass
- 156.0939 Da
- Melting point
- 82 °C
- Boiling point
- 265 °C
- logP
- 3.46Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation93% of notifiers
- H319 Causes serious eye irritation93% of notifiers
- H335 May cause respiratory irritation90.7% of notifiers
Aggregated from 43 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
571-61-9SMILES
Cc1cccc2c(C)cccc12InChIKey
SDDBCEWUYXVGCQ-UHFFFAOYSA-NInChI
InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Naphthalene, 1,5-dimethyl-
- NSC 59388
Work with 1,5-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
Methylnaphthalene1321-94-468 % similar
1-Methylnaphthalene90-12-068 % similar
4,6-Dimethyldibenzothiophene1207-12-157 % similar
O-Xylene95-47-656 % similar
1,2,3-Trimethylbenzene526-73-856 % similar
2,3,5-Trimethylnaphthalene2245-38-755 % similar
2-Iodo-1,3-dimethylbenzene608-28-653 % similar
2-Chloro-1,3-dimethylbenzene6781-98-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.