3-Formylbenzoic acid
Properties
- Molecular formula
- C8H6O3
- Molar mass
- 150.13 g/mol
- Exact mass
- 150.0317 Da
- Melting point
- 173–175 °C
- logP
- 1.20Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage21.7% of notifiers
- H319 Causes serious eye irritation78.3% of notifiers
- H335 May cause respiratory irritation76.7% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure21.7% of notifiers
Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
619-21-6SMILES
O=Cc1cccc(C(=O)O)c1InChIKey
UHDNUPHSDMOGCR-UHFFFAOYSA-NInChI
InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 3-formyl-
- Isophthalaldehydic acid
- m-Carboxybenzaldehyde
- m-Formylbenzoic acid
- 3-Carboxybenzaldehyde
- 5-Formylbenzoic acid
Work with 3-Formylbenzoic acid
Similar compounds
Isophthalic acid121-91-564 % similar
3-Fluorobenzoic acid455-38-955 % similar
3-Chlorobenzoic acid535-80-855 % similar
3-Bromobenzoic acid585-76-255 % similar
3-Hydroxybenzoic acid99-06-955 % similar
Methyl 3-formylbenzoate52178-50-454 % similar
Isophthalaldehyde626-19-754 % similar
3,3'-Disulfanediyldibenzoic acid1227-49-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds