CAS 78635-51-5

Butane, 2-isocyanato-2,3-dimethyl-

Description:

Butane, 2-isocyanato-2,3-dimethyl- (CAS 78635-51-5) is an organic compound characterized by the presence of an isocyanate functional group attached to a branched butane structure. This compound typically appears as a colorless to pale yellow liquid and is known for its strong, pungent odor. It is classified as an isocyanate, which makes it reactive, particularly with nucleophiles such as amines and alcohols, leading to the formation of ureas and carbamates. The presence of the isocyanate group also indicates potential toxicity and irritant properties, necessitating careful handling and appropriate safety measures during use. In terms of physical properties, it may exhibit moderate volatility and solubility in organic solvents, while being less soluble in water. Its applications are often found in the production of polymers, coatings, and adhesives, where it serves as a key intermediate in the synthesis of various materials. As with many isocyanates, it is important to consider its environmental impact and regulatory status in different jurisdictions.

Formula: C₇H₁₃NO

InChI: InChI=1S/C7H13NO/c1-6(2)7(3,4)8-5-9/h6H,1-4H3

InChI key: InChIKey=IXKZZMFZECLPOM-UHFFFAOYSA-N

SMILES: C(N=C=O)(C(C)C)(C)C

Synonyms:

• 1,1,2-Trimethylpropyl isocyanate
• 2-Isocyanato-2,3-dimethylbutane
• Butane, 2-isocyanato-2,3-dimethyl-