5-Iodo-1-isoindolinone

Basic Information

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CAS Number

897958-99-5

Molecular Formula

C8H6INO

Molecular Weight

259.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1C2=C(C=CC(=C2)I)C(=O)N1

InChI

InChI=1S/C8H6INO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)

InChIKey

JDADBWJXAKXSIQ-UHFFFAOYSA-N

LogP

1.5346

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

183

Synonyms & References

English

JDADBWJXAKXSIQ-UHFFFAOYSA-N
F17861
1H-Isoindol-1-one, 2,3-dihydro-5-iodo-
AKOS015853682
DS-4211
5-Iodo-2,3-dihydro-1H-isoindol-1-one
SCHEMBL1438853
DTXSID30718848
897958-99-5
2,3-Dihydro-5-iodo-1H-isoindol-1-one
5-iodo-2,3-dihydroisoindol-1-one
5-Iodoisoindolin-1-one
MFCD13177816
AB92786
5-iodoisoindolin-1-one

MDL Number

MFCD13177816

FAQ

What regulatory guidelines apply to 5-Iodo-1-isoindolinone (CAS: 897958-99-5)?

5-Iodo-1-isoindolinone (CAS: 897958-99-5) falls under the classification criteria of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication labels and safety data sheets. It is subject to regulatory requirements under the REACH regulation in the European Union, which requires registration if the substance is manufactured or imported in quantities greater than 1 tonne per year. The FDA and EPA may also require specific handling, storage, and disposal guidelines under the Toxic Substances Control Act (TSCA) and the Emergency Planning and Community Right-to-Know Act (EPCRA).

Are there alternatives to 5-Iodo-1-isoindolinone (CAS: 897958-99-5) in synthesis?

In terms of alternatives to 5-Iodo-1-isoindolinone (CAS: 897958-99-5), researchers often consider using related compounds such as 5-Chloro-1-isoindolinone or 5-Bromo-1-isoindolinone as potential substitutes. Other alternatives include exploring different functional groups or isomers that could serve similar purposes in the synthesis process. These alternatives depend on the specific requirements of the reaction and the desired product properties.

What is the market or research trend for 5-Iodo-1-isoindolinone (CAS: 897958-99-5)?

The market for 5-Iodo-1-isoindolinone (CAS: 897958-99-5) is growing due to its applications in the synthesis of pharmaceuticals and materials. Research trends focus on developing more efficient and environmentally friendly synthetic routes. Additionally, there is increasing interest in its use as a precursor in the development of new drugs and as a building block in organic synthesis. The price trends are influenced by supply and demand, with higher demand driving up prices. Emerging research fields include its role in catalysis and as a functional group in polymer chemistry.

How should waste containing 5-Iodo-1-isoindolinone (CAS: 897958-99-5) be handled?

Waste containing 5-Iodo-1-isoindolinone (CAS: 897958-99-5) should be collected in appropriate containers and stored in a safe, well-ventilated area away from incompatible materials. Professional waste disposal services should be utilized for incineration or other appropriate disposal methods. Environmental precautions include ensuring that waste does not enter water sources or soil. Proper waste handling is crucial to prevent environmental contamination and ensure worker safety. Compliance with local regulations and guidelines, such as the EPA's regulations, is essential.