3-Iodobenzoic acid
Properties
- Molecular formula
- C7H5IO2
- Molar mass
- 248.02 g/mol
- Exact mass
- 247.9334 Da
- Melting point
- 188.3 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 9 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
618-51-9SMILES
O=C(O)c1cccc(I)c1InChIKey
KVBWBCRPWVKFQT-UHFFFAOYSA-NInChI
InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- NSC 176131
- Benzoic acid, 3-iodo-
- Benzoic acid, m-iodo-
- m-Iodobenzoic acid
- m-Carboxyiodobenzene
- 3-Iodobenzenecarboxylic acid
- Benzoic acid, 3-(iodocarbonyl)-
- NSC 74693
Reactions
Work with 3-Iodobenzoic acid
Similar compounds
Isophthalic acid121-91-569 % similar
3,5-Diiodobenzoic acid19094-48-564 % similar
3-Fluorobenzoic acid455-38-958 % similar
3-Chlorobenzoic acid535-80-858 % similar
3-Bromobenzoic acid585-76-258 % similar
3-Hydroxybenzoic acid99-06-958 % similar
3,3'-Disulfanediyldibenzoic acid1227-49-256 % similar
3-Iodoacetophenone14452-30-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.