2-Amino-3,5-diiodobenzoic acid

C7H5I2NO2CAS 609-86-9388.93 g/mol

Open in Covalent MOL file
NH2IIOHO
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H5I2NO2
Molar mass
388.93 g/mol
Exact mass
388.8410 Da
Melting point
230–232 °C
logP
2.18Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
609-86-9
SMILES
Nc1c(I)cc(I)cc1C(=O)O
InChIKey
RFIBDMCPIREZKC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5I2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-amino-3,5-diiodo-
  • Anthranilic acid, 3,5-diiodo-
  • 3,5-Diiodoanthranilic acid
  • NSC 4508

Work with 2-Amino-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

2,3,5-Triiodobenzoic acid88-82-465 % similar 3,5-Diiodosalicylic acid133-91-563 % similar 2-Amino-3-iodobenzoic acid20776-55-058 % similar 2,5-Diiodobenzoic acid14192-12-257 % similar 2-Amino-5-iodobenzoic acid5326-47-654 % similar 3-Amino-2,4,6-triiodobenzoic acid3119-15-153 % similar 2-Amino-4-iodo-benzoic acid20776-54-951 % similar 2-Amino-3,5-dimethylbenzoic acid14438-32-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-3,5-diiodobenzoic acid2122-61-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook