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ALD00400

Sigma-Aldrich

2-Chloro-6-iodobenzoic acid

95%

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About This Item

Empirical Formula (Hill Notation):
C7H4ClIO2
CAS Number:
13420-63-8
Molecular Weight:
282.46
MDL number:
MFCD06808823
UNSPSC Code:
12352100
PubChem Substance ID:
329772665
NACRES:
NA.22

Quality Level

100

Assay

95%

form

solid

reaction suitability

reagent type: ligand
reaction type: C-H Activation

SMILES string

OC(C1=C(Cl)C=CC=C1I)=O

InChI

1S/C7H4ClIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChI key

KNWHWEKCHWFXFZ-UHFFFAOYSA-N

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Application

The following building block was synthesized via a C-H activation method developed by Yu and coworkers. The method was incorporated using the Yu-Wasa Auxiliary (Aldrich 791806) and I2 as the sole oxidant for ortho-iodination from the corresponding benzoic acid derivative.

Other Notes

Iodination Method Eases Route To Radiolabeled Drugs

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H319

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

ALD00400-BULK:
ALD00400-1G:4548174001592
ALD00400-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Xiao-Chen Wang et al.
Journal of the American Chemical Society, 135(28), 10326-10329 (2013-07-11)
Pd-catalyzed ortho-C-H iodination directed by a weakly coordinating amide auxiliary using I2 as the sole oxidant was developed. This reaction is compatible with a wide range of heterocycles including pyridines, imidazoles, oxazoles, thiazoles, isoxazoles, and pyrazoles.

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