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560146

Sigma-Aldrich

4-Chloro-2-iodobenzoic acid

97%

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About This Item

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

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

Related Categories

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN0649
MKBV5755V
MKBT4604V
MKBL6916V
MKBG7925V

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