3,4-Dimethylbenzaldehyde
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- Boiling point
- 225–228 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation25% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H335 May cause respiratory irritation25% of notifiers
Aggregated from 4 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
5973-71-7SMILES
Cc1ccc(C=O)cc1CInChIKey
POQJHLBMLVTHAU-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzaldehyde, 3,4-dimethyl-
- 3,4-DBAL
Work with 3,4-Dimethylbenzaldehyde
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
4-(3,4-Dimethylphenyl)benzaldehyde343604-05-770 % similar
4-Fluoro-3-methylbenzaldehyde135427-08-664 % similar
4-Hydroxy-3-methylbenzaldehyde15174-69-364 % similar
3-Fluoro-4-methylbenzaldehyde177756-62-664 % similar
3-Chloro-4-methylbenzaldehyde3411-03-864 % similar
3-Bromo-4-methyl benzaldehyde36276-24-164 % similar
3-Hydroxy-4-methylbenzaldehyde57295-30-464 % similar
3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-963 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.