The isocyanate functional group. Isocyanate is the functional group with the formula RâN=C=O. Organic compounds that contain an isocyanate group are referred to as isocyanates. An isocyanate that has two isocyanate groups is known as a di-isocyanate. Di-isocyanates are manufactured for reactions with polyols in the production of polyurethanes, a class of polymers.
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