2,5-Diiodobenzoic acid

C₇H₄I₂O₂CAS 14192-12-2373.92 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄I₂O₂
Molar mass: 373.92 g/mol
Exact mass: 373.8301 Da
Melting point: 183 °C
logP: 2.59Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

14192-12-2

SMILES

O=C(O)c1cc(I)ccc1I

InChIKey

NSKPFWAAYDFCFS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2,5-diiodo-
NSC 97505

Work with 2,5-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

5-Iodosalicylic acid119-30-266 % similar 2-Amino-4-iodo-benzoic acid20776-54-966 % similar 5-Iodo-2-methylbenzoic acid54811-38-066 % similar 2-Fluoro-5-iodobenzoic acid124700-41-064 % similar 5-Chloro-2-iodobenzoic acid13421-00-664 % similar 2-Chloro-5-iodobenzoic acid19094-56-564 % similar 5-Bromo-2-iodobenzoic acid21740-00-164 % similar 2-Bromo-5-iodobenzoic acid25252-00-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Diiodobenzoic acid19094-48-5 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-9 3,5-Diiodosalicylaldehyde2631-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook