3-Phenoxybenzaldehyde
Properties
- Molecular formula
- C13H10O2
- Molar mass
- 198.22 g/mol
- Exact mass
- 198.0681 Da
- Melting point
- 153 °C
- Boiling point
- 140 °C
- logP
- 3.29Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin41% of notifiers
- H330 Fatal if inhaled95.5% of notifiers
- H400 Very toxic to aquatic life51.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects23.9% of notifiers
Aggregated from 134 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
39515-51-0SMILES
O=Cc1cccc(Oc2ccccc2)c1InChIKey
MRLGCTNJRREZHZ-UHFFFAOYSA-NInChI
InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzaldehyde, 3-phenoxy-
- m-Phenoxybenzaldehyde
- m-(Phenyloxy)benzaldehyde
- 5-Phenoxybenzaldehyde
Work with 3-Phenoxybenzaldehyde
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
3-(4-Methoxyphenoxy)benzaldehyde62373-80-272 % similar
3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-963 % similar
3-Benzyloxybenzaldehyde1700-37-462 % similar
3-Methoxybenzaldehyde591-31-161 % similar
1,3-Diphenoxybenzene3379-38-258 % similar
Isophthalaldehyde626-19-758 % similar
3-(Difluoromethoxy)benzaldehyde85684-61-358 % similar
[1,1′-Biphenyl]-3-carboxaldehyde1204-60-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.