3,5-Diiodobenzoic acid

C7H4I2O2CAS 19094-48-5373.92 g/mol

Open in Covalent MOL file
OHOII
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4I2O2
Molar mass
373.92 g/mol
Exact mass
373.8301 Da
Melting point
235 °C
logP
2.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19094-48-5
SMILES
O=C(O)c1cc(I)cc(I)c1
InChIKey
FHTJRJBWLBXVPO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4I2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 3,5-diiodo-
  • 3,5-Diiodobenzoate
  • NSC 149429

Work with 3,5-Diiodobenzoic 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

3-Bromo-5-iodobenzoic acid188815-32-974 % similar 3-Iodobenzoic acid618-51-964 % similar Trimesic acid554-95-064 % similar 4-Iodobenzoic acid619-58-962 % similar Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-256 % similar Ioxynic acid618-76-855 % similar 4-Amino-3,5-diiodobenzoic acid2122-61-453 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Diiodobenzoic acid14192-12-2 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-9 3,5-Diiodosalicylaldehyde2631-77-8

Elsewhere

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