3-Hydroxy-4-iodobenzoic acid

C₇H₅IO₃CAS 58123-77-6264.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅IO₃
Molar mass: 264.02 g/mol
Exact mass: 263.9283 Da
Melting point: 226–228 °C (decomposes)
logP: 1.70Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic 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 irritation97.9% 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+P316, 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

58123-77-6

SMILES

O=C(O)c1ccc(I)c(O)c1

InChIKey

UABBBWVTEWIIMN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzoic acid, 3-hydroxy-4-iodo-

Work with 3-Hydroxy-4-iodobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Protocatechuic acid99-50-367 % similar 4-Iodo-3-methylbenzoic acid52107-87-664 % similar 3-Hydroxy-4-methylbenzoic acid586-30-164 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 3-Fluoro-4-iodobenzoic acid825-98-962 % similar 4-Bromo-3-hydroxybenzoic acid14348-38-059 % similar 4-Amino-3-hydroxybenzoic acid2374-03-059 % similar 4-Chloro-3-hydroxybenzoic acid34113-69-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Iodosalicylic acid119-30-2 2-Iodosylbenzoic acid304-91-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook