9,10-Dimethylanthracene
Properties
- Molecular formula
- C16H14
- Molar mass
- 206.29 g/mol
- Exact mass
- 206.1096 Da
- Melting point
- 4–182 °C
- Boiling point
- 360–362 °C
- Water solubility
- insoluble
- logP
- 4.61Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H312 Harmful in contact with skin83% of notifiers
- H317 May cause an allergic skin reaction83% of notifiers
- H332 Harmful if inhaled83% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled83% of notifiers
- H351 Suspected of causing cancer10.6% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P317, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, P501
Identifiers
CAS number
781-43-1SMILES
Cc1c2ccccc2c(C)c2ccccc12InChIKey
JTGMTYWYUZDRBK-UHFFFAOYSA-NInChI
InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Anthracene, 9,10-dimethyl-
- NSC 4220
Work with 9,10-Dimethylanthracene
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
9-Methylanthracene779-02-263 % similar
9-Methylacridine611-64-360 % similar
7,12-Dimethylbenz[a]anthracene57-97-657 % similar
Triphenylene217-59-450 % similar
1,4-Dimethylnaphthalene571-58-450 % similar
1,2-Dimethylnaphthalene573-98-848 % similar
2,3-Dimethylbenzofuran3782-00-146 % similar
2,3-Dimethylindole91-55-446 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.