3-Hydroxybenzaldehyde
Properties
- Molecular formula
- C7H6O2
- Molar mass
- 122.12 g/mol
- Exact mass
- 122.0368 Da
- Density
- 1.1299 g/mL (at 113.6 °C)
- Melting point
- 108 °C
- Boiling point
- 240 °C
- logP
- 1.20Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation90% of notifiers
- H319 Causes serious eye irritation96.7% of notifiers
- H335 May cause respiratory irritation85% of notifiers
Aggregated from 60 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
100-83-4SMILES
O=Cc1cccc(O)c1InChIKey
IAVREABSGIHHMO-UHFFFAOYSA-NInChI
InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzaldehyde, 3-hydroxy-
- Benzaldehyde, m-hydroxy-
- m-Formylphenol
- 3-Formylphenol
- m-Hydroxybenzaldehyde
- NSC 3504
- 5-Hydroxybenzaldehyde
Reactions
Work with 3-Hydroxybenzaldehyde
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
Isophthalaldehyde626-19-765 % similar
3,5-Dihydroxybenzaldehyde26153-38-860 % similar
6-Hydroxy-2-naphthaldehyde78119-82-159 % similar
3-Bromobenzaldehyde3132-99-857 % similar
3-Fluorobenzaldehyde456-48-454 % similar
3-Chlorobenzaldehyde587-04-254 % similar
Resorcinol108-46-352 % similar
[1,1′-Biphenyl]-3-carboxaldehyde1204-60-052 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds