5-Iodo-2-methylbenzoic acid
Properties
- Molecular formula
- C8H7IO2
- Molar mass
- 262.05 g/mol
- Exact mass
- 261.9491 Da
- logP
- 2.30Crippen 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 irritation80% of notifiers
Aggregated from 5 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
54811-38-0SMILES
Cc1ccc(I)cc1C(=O)OInChIKey
WUBHOZQZSHGUFI-UHFFFAOYSA-NInChI
InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 5-iodo-2-methyl-
- 2-Methyl-5-iodobenzoic acid
Work with 5-Iodo-2-methylbenzoic acid
Similar compounds
2,5-Diiodobenzoic acid14192-12-266 % similar
2,5-Dimethylbenzoic acid610-72-066 % similar
5-Iodosalicylic acid119-30-264 % similar
5-Hydroxy-2-methylbenzoic acid578-22-364 % similar
2,5-Dimethylterephthalic acid6051-66-762 % similar
2-Fluoro-5-iodobenzoic acid124700-41-062 % similar
2-Chloro-5-iodobenzoic acid19094-56-562 % similar
2-Bromo-5-iodobenzoic acid25252-00-062 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds