2-Iodoxybenzoic acid

C₇H₅IO₄CAS 61717-82-6280.02 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅IO₄
Molar mass: 280.02 g/mol
Exact mass: 279.9233 Da
Melting point: 232 °C (decomposes)
logP: 1.24Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation91.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

61717-82-6

SMILES

O=C1OI(=O)(O)c2ccccc21

InChIKey

CQMJEZQEVXQEJB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10,11)

Weigh it out

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

Names and synonyms

9 names

1,2-Benziodoxol-3(1H)-one, 1-hydroxy-, 1-oxide
1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide
IBX
NSC 366248
1-Hydroxy-1,3-dioxo-3H-benz[d][1,2]iodoxol
1-Hydroxy-3H-benz[d][1,2]iodoxol-1,3-dione
SIBX
1-Hydroxyl-2-benziodoxol-3(1H)-one 1-oxide
1-Hydroxy-1,2-benziodoxole-3(1H)-one 1-oxide

Work with 2-Iodoxybenzoic 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

Phthalic anhydride85-44-941 % similar Dimethyl phthalate131-11-337 % similar Diphenyl phthalate84-62-836 % similar Methyl salicylate119-36-835 % similar Monoperoxyphthalic acid2311-91-335 % similar 3-Hydroxyphthalic anhydride37418-88-535 % similar Diisopropyl phthalate605-45-834 % similar Diethyl phthalate84-66-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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