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TCI

CAS 2094-99-7

3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate TCI I0431

3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate TCI I0431

Chemical Identity

CAS No.
2094-99-7
PubChem
CID 604152·SID 87571784
Formula
C13H15NO
Molecular weight
201.26 g/mol
Purity
>95.0%(GC)
Reference databases
ChemSpider·ECHA
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)N=C=O
InChIKey
ZVEMLYIXBCTVOF-UHFFFAOYSA-N
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3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate is a chemical compound widely used as a building block in organic synthesis. It plays a crucial role in laboratories where complex molecular structures are being developed. This compound is particularly valuable due to its reactive isocyanate group, which allows it to participate in various chemical reactions. Its versatility makes it an essential tool for chemists working on the synthesis of pharmaceuticals and industrial chemicals.

The compound's unique chemical structure and high reactivity make it a preferred choice in synthetic chemistry. The isocyanate group is highly reactive, enabling it to undergo nucleophilic and addition reactions efficiently. This reactivity allows chemists to create a wide range of functional groups and molecular architectures. Its ability to form stable intermediates and react with multiple functional groups enhances its utility in diverse chemical applications.

In Indonesian laboratories, this compound is commonly used in research focused on organic chemistry. It is particularly favored in the development of pharmaceutical compounds and industrial materials. Its role in creating complex molecular structures with specific biological activities makes it an important reagent in academic and industrial research settings. Researchers in both educational institutions and research centers rely on this compound for its reliability and effectiveness in chemical synthesis.

  • Organic synthesis of pharmaceutical compounds due to its reactivity and ability to form complex molecular structures.
  • Development of industrial chemicals through nucleophilic and addition reactions facilitated by the isocyanate group.
  • Research in medicinal chemistry for the creation of bioactive molecules with specific functional groups.
  • Synthesis of polymers and polymeric materials by reacting with various functional groups in controlled environments.
  • Chemical modification of existing compounds to enhance their biological activity and chemical stability.

Brand TCI
CAS number 2094-99-7
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes Available in standard laboratory quantities
Physical form Liquid
Storage Store in a cool, dry place away from moisture and direct sunlight

This compound should be stored in a cool, dry environment, away from moisture and direct sunlight. It is recommended to use sealed containers made of materials compatible with organic solvents to prevent contamination and evaporation. Due to its reactivity, it should be handled with appropriate personal protective equipment, including gloves and safety goggles. Proper ventilation is necessary when working with this material to minimize exposure. It should not be stored near incompatible substances such as acids or bases. Regular monitoring of storage conditions ensures the compound remains stable and safe for use in laboratory settings.

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