560146

4-Chloro-2-iodobenzoic acid

97%

• Linear Formula: C₆H₃Cl(I)COOH
• CAS Number: 13421-13-1
• Molecular Weight: 282.46
• MDL number: MFCD00060676
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879847
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• mp: 163-167 °C (lit.)
• functional group: carboxylic acid; chloro; iodo
• SMILES string: OC(=O)c1ccc(Cl)cc1I
• InChI: 1S/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
• InChI key: LRRDANNSUCQNDU-UHFFFAOYSA-N

Description

General description

4-Chloro-2-iodobenzoic acid is an electron-deficient substituted 2-iodobenzoic acid. It reacts with ynamide to provide the 3,4-disubstituted isocoumarin.

Application

4-Chloro-2-iodobenzoic acid may be used to synthesize:

• 6-chloro-3-(4-methoxyphenyl)-1H-isochromen-1-one
• (Z)-3-benzylidene-5-chloroisobenzofuran-1(3H)-one
• 6-chloro-3-pentyl-1H-isochromen-1-one
• 4-chloro-2-iodobenzophenone

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)