3,5-Diiodosalicylic acid

C₇H₄I₂O₃CAS 133-91-5389.91 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₄I₂O₃
Molar mass: 389.91 g/mol
Exact mass: 389.8250 Da
Melting point: 235.5 °C
logP: 2.30Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed96.8% of notifiers
H312 Harmful in contact with skin69.4% of notifiers
H315 Causes skin irritation90.3% of notifiers
H319 Causes serious eye irritation90.3% of notifiers
H332 Harmful if inhaled69.4% of notifiers
H335 May cause respiratory irritation80.6% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

133-91-5

SMILES

O=C(O)c1cc(I)cc(I)c1O

InChIKey

DHZVWQPHNWDCFS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 2-hydroxy-3,5-diiodo-
Salicylic acid, 3,5-diiodo-
2-Hydroxy-3,5-diiodobenzoic acid
2-Hydroxy-3,5-diiodobenzenecarboxylic acid
3,5-Diiodo-2-hydroxybenzoic acid
NSC 6303

Reactions

2-HYDROXY-3,5-DIIODOBENZOIC ACID (Salicylic acid, 3,5-diiodo-)product

Work with 3,5-Diiodosalicylic 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

2,3,5-Triiodobenzoic acid88-82-467 % similar 2-Amino-3,5-diiodobenzoic acid609-86-963 % similar 2,5-Diiodobenzoic acid14192-12-259 % similar 2,4,6-Triiodophenol609-23-455 % similar 5-Iodosalicylic acid119-30-253 % similar 3-Hydroxy-2,4,6-triiodobenzoic acid53279-72-451 % similar 5-Iodo-2-methylbenzoic acid54811-38-049 % similar 3,5-Diiodobenzoic acid19094-48-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Diiodo-4-hydroxybenzoic acid618-76-8

Elsewhere

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