2,5-Dimethoxybenzaldehyde
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 52 °C
- Boiling point
- 270 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled81.2% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
93-02-7SMILES
COc1ccc(OC)c(C=O)c1InChIKey
AFUKNJHPZAVHGQ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzaldehyde, 2,5-dimethoxy-
- NSC 6315
Work with 2,5-Dimethoxybenzaldehyde
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
2,4-Dimethoxybenzaldehyde613-45-676 % similar
2-Bromo-5-methoxybenzaldehyde7507-86-071 % similar
5-Bromo-2-methoxybenzaldehyde25016-01-768 % similar
4-Methoxy-2-methylbenzaldehyde52289-54-068 % similar
2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-068 % similar
2,5-Dimethoxyterephthalaldehyde7310-97-667 % similar
2-Fluoro-5-methoxybenzaldehyde105728-90-366 % similar
5-Fluoro-2-methoxybenzaldehyde19415-51-166 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.