5-Formylsalicylic acid
Properties
- Molecular formula
- C8H6O4
- Molar mass
- 166.13 g/mol
- Exact mass
- 166.0266 Da
- Melting point
- 329–332 °C (decomposes)
- logP
- 0.90Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed20% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction20% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation60% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
616-76-2SMILES
O=Cc1ccc(O)c(C(=O)O)c1InChIKey
UTCFOFWMEPQCSR-UHFFFAOYSA-NInChI
InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzoic acid, 5-formyl-2-hydroxy-
- Isophthalaldehydic acid, 6-hydroxy-
- 5-Formyl-2-hydroxybenzoic acid
- 6-Hydroxyisophthalaldehydic acid
- 3-Carboxy-4-hydroxybenzaldehyde
- 2-Hydroxy-5-formylbenzoic acid
- 3-Formyl-6-hydroxybenzoic acid
- NSC 15046
- NSC 16527
Work with 5-Formylsalicylic acid
Similar compounds
2-Fluoro-5-formylbenzoic acid 95550363-85-464 % similar
4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-661 % similar
Methyl 5-formylsalicylate41489-76-359 % similar
Gentisic acid490-79-959 % similar
4-Hydroxyisophthalic acid636-46-459 % similar
Protocatechuic aldehyde139-85-556 % similar
5-Iodosalicylic acid119-30-256 % similar
5,5'-Methylenedisalicylic acid122-25-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds