3-Cyano-2-iodobenzoic acid

Base Information

Chemical Name:3-Cyano-2-iodobenzoic acid
CAS No.:106589-22-4
Molecular Formula:C8H4INO2
Molecular Weight:273.03
Hs Code.:
European Community (EC) Number:851-327-8
DSSTox Substance ID:DTXSID001310943

Synonyms:3-cyano-2-iodobenzoic acid;106589-22-4;3-cyano-2-iodobenzoicacid;3-cyano-2-iodo-benzoic acid;DTXSID001310943;EN300-7563339;Z1551960102

Suppliers and Price of 3-Cyano-2-iodobenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
3-Cyano-2-iodobenzoicacid 95+%
1g
$ 698.00

Total 5 raw suppliers

Chemical Property of 3-Cyano-2-iodobenzoic acid

Chemical Property:

PSA：61.09000
LogP:1.86108
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:272.92868
Heavy Atom Count:12
Complexity:233

Purity/Quality:

99% ^*data from raw suppliers

3-Cyano-2-iodobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)C(=O)O)I)C#N

Technology Process of 3-Cyano-2-iodobenzoic acid

There total 6 articles about 3-Cyano-2-iodobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 106589-21-3
methyl 3-cyano-2-iodobenzoate

: 106589-22-4
3-cyano-2-iodobenzoic acid

Guidance literature:: With sodium hydroxide; In methanol; Heating;
DOI:10.1021/jm00387a013

Reference yield:

: 2902-65-0
2-iodoyl-1,3-benzenedicarboxylic acid

: 106589-22-4
3-cyano-2-iodobenzoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) SOCl₂

2: aq. NaOH / methanol / 1 h / Heating

3: SOCl₂ / 1 h / Heating

4: NH₄OH / CH₂Cl₂

5: 59 percent / POCl₃ / 1 h / 100 °C

6: 100 percent / aq. NaOH / methanol / Heating

With ammonium hydroxide; sodium hydroxide; thionyl chloride; trichlorophosphate; In methanol; dichloromethane;
DOI:10.1021/jm00387a013

Reference yield:

: 106589-18-8
Dimethyl 2-iodoisophthalate

: 106589-22-4
3-cyano-2-iodobenzoic acid

Guidance literature:: Multi-step reaction with 5 steps

1: aq. NaOH / methanol / 1 h / Heating

2: SOCl₂ / 1 h / Heating

3: NH₄OH / CH₂Cl₂

4: 59 percent / POCl₃ / 1 h / 100 °C

5: 100 percent / aq. NaOH / methanol / Heating

With ammonium hydroxide; sodium hydroxide; thionyl chloride; trichlorophosphate; In methanol; dichloromethane;
DOI:10.1021/jm00387a013