CAS 745783-76-0
:(2S)-2-Isocyanatoheptane
Description:
(2S)-2-Isocyanatoheptane is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a heptane backbone. As a chiral molecule, it has specific stereochemistry denoted by the (2S) configuration, indicating that the isocyanate group is positioned at the second carbon of the heptane chain. This compound is typically a colorless to pale yellow liquid and is known for its reactivity, particularly in forming urethanes through reactions with alcohols and amines. Isocyanates are generally considered hazardous due to their potential to cause respiratory irritation and sensitization. They are used in various applications, including the production of polyurethanes, coatings, and adhesives. Proper handling and safety precautions are essential when working with this compound, as it can be toxic and may pose environmental risks. Its unique structure and reactivity make it a valuable intermediate in organic synthesis and industrial chemistry.
Formula:C8H15NO
InChI:InChI=1S/C8H15NO/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3/t8-/m0/s1
InChI key:InChIKey=PIVVYCUAIZAGPB-QMMMGPOBSA-N
SMILES:C([C@@H](N=C=O)C)CCCC
Synonyms:- (s)-(+)-2-Heptyl isocyanate
- (2S)-2-Isocyanatoheptane
- Heptane, 2-isocyanato-, (2S)-
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