3-Hydroxy-2,4,6-triiodobenzoic acid
Properties
- Molecular formula
- C7H3I3O3
- Molar mass
- 515.81 g/mol
- Exact mass
- 515.7216 Da
- Melting point
- 206–208 °C
- logP
- 2.90Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed87.2% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage85.1% of notifiers
- H319 Causes serious eye irritation14.9% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
53279-72-4SMILES
O=C(O)c1c(I)cc(I)c(O)c1IInChIKey
GIAVHGFPMPSIFI-UHFFFAOYSA-NInChI
InChI=1S/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 3-hydroxy-2,4,6-triiodo-
- 2,4,6-Triiodo-3-hydroxybenzoic acid
- NSC 82352
Work with 3-Hydroxy-2,4,6-triiodobenzoic acid
Similar compounds
3-Amino-2,4,6-triiodobenzoic acid3119-15-163 % similar
Ioxynic acid618-76-858 % similar
Acetrizoic acid85-36-955 % similar
3,5-Diiodosalicylic acid133-91-551 % similar
2,3,5-Triiodobenzoic acid88-82-445 % similar
3-Iodophthalic acid6937-34-442 % similar
5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid35453-19-142 % similar
3-Hydroxy-4-iodobenzoic acid58123-77-641 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.