Iodoacetic acid

C2H3IO2CAS 64-69-7185.95 g/mol

Open in Covalent MOL file
OHOI
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2H3IO2
Molar mass
185.95 g/mol
Exact mass
185.9178 Da
Melting point
82–83 °C
pKa
3.18 (25 °C)
Water solubility
≥ 100 g/L (21.5 °C)
logP
0.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 607-068-00-6), via PubChem.

Precautionary statements

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
64-69-7
SMILES
O=C(O)CI
InChIKey
JDNTWHVOXJZDSN-UHFFFAOYSA-N
InChI
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2-iodo-
  • Acetic acid, iodo-
  • 2-Iodoacetic acid
  • MIA
  • Monoiodoacetic acid
  • NSC 2125
  • CH2ICOOH
  • Iodoacetates

Work with Iodoacetic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium iodoacetate305-53-3Salt

Similar compounds

3-Iodopropionic acid141-76-452 % similar Succinic acid110-15-650 % similar Malonic acid141-82-250 % similar Glutaric acid110-94-145 % similar Adipic acid124-04-945 % similar Polyglycolide26124-68-545 % similar Glycolic acid79-14-145 % similar Diglycolic acid110-99-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia