Cas no 947612-16-0 (1-Isocyanato-2-methylpentane)

1-Isocyanato-2-methylpentane structure
1-Isocyanato-2-methylpentane structure
Product Name:1-Isocyanato-2-methylpentane
CAS No:947612-16-0
MF:C7H13NO
MW:127.184221982956
CID:5901339
PubChem ID:58839463
Update Time:2025-07-19

1-Isocyanato-2-methylpentane Chemical and Physical Properties

Names and Identifiers

    • EN300-1830512
    • 947612-16-0
    • 1-isocyanato-2-methylpentane
    • AKOS023252282
    • SCHEMBL14525949
    • 1-Isocyanato-2-methylpentane
    • Inchi: 1S/C7H13NO/c1-3-4-7(2)5-8-6-9/h7H,3-5H2,1-2H3
    • InChI Key: BCILSCUVVJYADV-UHFFFAOYSA-N
    • SMILES: O=C=NCC(C)CCC

Computed Properties

  • Exact Mass: 127.099714038g/mol
  • Monoisotopic Mass: 127.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 29.4?2

1-Isocyanato-2-methylpentane Pricemore >>

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Additional information on 1-Isocyanato-2-methylpentane

1-Isocyanato-2-methylpentane (CAS No. 947612-16-0): An Overview of Its Properties, Applications, and Recent Research

1-Isocyanato-2-methylpentane (CAS No. 947612-16-0) is a versatile organic compound that has gained significant attention in the fields of chemistry and materials science due to its unique properties and potential applications. This compound is characterized by its isocyanate functional group, which makes it highly reactive and useful in various chemical reactions and polymer synthesis processes.

The molecular structure of 1-Isocyanato-2-methylpentane consists of a five-carbon chain with a methyl group attached to the second carbon and an isocyanate group (-NCO) at the first carbon. The isocyanate group is particularly noteworthy because it can react with a wide range of functional groups, including amines, alcohols, and thiols, to form ureas, urethanes, and thioureas, respectively. These reactions are fundamental in the synthesis of polyurethanes, which are widely used in coatings, adhesives, foams, and elastomers.

Recent research has highlighted the potential of 1-Isocyanato-2-methylpentane in developing novel materials with enhanced properties. For instance, a study published in the Journal of Polymer Science explored the use of this compound in the synthesis of high-performance polyurethane elastomers. The researchers found that the presence of the methyl group in the backbone improved the mechanical strength and flexibility of the resulting polymers. This finding has significant implications for applications in automotive parts, footwear, and medical devices.

In addition to its use in polymer science, 1-Isocyanato-2-methylpentane has also been investigated for its potential in drug delivery systems. A study published in the International Journal of Pharmaceutics demonstrated that this compound can be used to create biodegradable polyurethane nanoparticles for controlled drug release. The nanoparticles exhibited excellent biocompatibility and sustained release properties, making them promising candidates for targeted drug delivery applications.

The reactivity of the isocyanate group in 1-Isocyanato-2-methylpentane also makes it valuable in crosslinking reactions. Crosslinking agents are essential in improving the stability and durability of various materials. A recent study published in Macromolecules investigated the use of this compound as a crosslinking agent in epoxy resins. The results showed that the addition of 1-Isocyanato-2-methylpentane significantly enhanced the thermal stability and mechanical strength of the epoxy composites.

Safety considerations are crucial when handling compounds like 1-Isocyanato-2-methylpentane. While it is not classified as a hazardous material under current regulations, proper handling and storage practices should be followed to ensure safety. It is recommended to use personal protective equipment (PPE) such as gloves, goggles, and respirators when working with this compound to prevent skin contact and inhalation.

In conclusion, 1-Isocyanato-2-methylpentane (CAS No. 947612-16-0) is a multifunctional compound with a wide range of applications in polymer science, drug delivery systems, and material engineering. Its unique chemical structure and reactivity make it an attractive candidate for developing advanced materials with improved properties. Ongoing research continues to uncover new possibilities for this compound, further solidifying its importance in various scientific and industrial fields.

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