Products 4098-71-9

CAS 4098-71-9 appears in our catalog under these names: Isophorone Diisocyanate, Isophorone diisocyanate, mixture of isomers, 98% , Isophorone diisocyanate, 99.00%, Isophorone Diisocyanate (mixture of isomers), >99.0%(GC), Isophorone diisocyanate, 98+%, mixture of isomers. Offered by: TRC, Dr. Ehrenstorfer, Thermo Scientific (Alfa Aesar), Chemat, TCI. Available pack sizes: 100ml, 10ml, 50ml, 100mg, 5g, 100g, 500g, 25g.

Structural formula: {0} (CAS {1})

Isophorone diisocyanate is a diisocyanate in which the two isocyanate groups are linked by an isophorone substituent. It is functionally related to an isophorone.

Source: ChEBI

Identity
Molecular formulaC12H18N2O2
Molecular weight222.28 g/mol
IUPAC name5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
InChIKeyNIMLQBUJDJZYEJ-UHFFFAOYSA-N
SMILESCC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

Computed by PubChem (NCBI)