Methyl 2-hydroxy-4-iodobenzoate

C₈H₇IO₃CAS 18179-39-0278.05 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₈H₇IO₃
Molar mass: 278.05 g/mol
Exact mass: 277.9440 Da
Melting point: 60 °C
logP: 1.78Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed87.2% of notifiers
H315 Causes skin irritation14.9% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation10.6% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18179-39-0

SMILES

COC(=O)c1ccc(I)cc1O

InChIKey

WUFUURSWOJROKY-UHFFFAOYSA-N

InChI

InChI=1S/C8H7IO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 2-hydroxy-4-iodo-, methyl ester
Salicylic acid, 4-iodo-, methyl ester
Methyl 4-iodosalicylate
Methyl 4-iodo-2-hydroxybenzoate
2-Hydroxy-4-iodobenzoic acid methyl ester

Work with Methyl 2-hydroxy-4-iodobenzoate

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

Methyl 4-amino-2-hydroxybenzoate4136-97-468 % similar Methyl 2,4-dihydroxybenzoate2150-47-267 % similar Methyl 2-hydroxy-p-toluate4670-56-865 % similar Methyl 4-fluorosalicylate392-04-163 % similar Methyl 4-methoxysalicylate5446-02-663 % similar Methyl 2-amino-5-iodobenzoate77317-55-659 % similar Methyl salicylate119-36-858 % similar Methyl 3-hydroxy-2-naphthoate883-99-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-hydroxy-4-iodobenzoate157942-12-6 4-Iodophenoxyacetic acid1878-94-0 Methyl 5-iodosalicylate4068-75-1 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-8 3-Iodo-4-methoxybenzoic acid68507-19-7

Elsewhere

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