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The properties of isocyanates vary substantially depending on their structure. Aromatic isocyanates are not only lowest in cost, they are extremely reactive and the building block for most polyurethane foams, elastomers and thermoplastic polyurethanes. Aromatic isocyanates can be catalyzed with amines and with organotin compounds. Toluenediisocyanate (TDI) and methylenediphenyl diisocyanate (MDI) and their derivatives present the largest market for isocyanates. Aliphatic isocyanates are used predominately in coatings because of their excellent light stability.  Aromatic diisocyanates
Aromatic isocyanate crosslinker
Aromatic diisocyanates with aliphatic properties
Aliphatic diisocyanates
Aliphatic isocyanate crosslinker
 

Chemical Name

Chemical

CAS#

MW

 Name

NCO
 

Formula

      

%
Aromatic Isocyanates    
1,3-Phenylene diisocyanate C8H4N2O2 123-61-5 160.1 m-Phenylene diisocyanate 52.5
1,4-Phenylene diisocyanate C8H4N2O2 104-49-4 160.1 p-Phenylene diisocyanate 52.5
2,6-Toluene diisocyanate C9H6N2O2 91-08-7 174.2 2,6-TDI 48
2,4-Toluene diisocyanate C9H6N2O2 584-84-9 174.2 2,4-TDI 48
80% 2,4-TDI; 20% 2,6-TDI, blend of isomers C9H6N2O2 26471-62-5 174.2 TDI 80/20 48
Naphthalene, 1,5-diisocyanato C12H6N2O2 3173-72-6 25551-28-4 210.19 1,5-Naphthalene diisocyanate

40
Diphenyl oxide 4,4'-diisocyanate C14H8N2O3 4128-73-8 252.23 33.3
4,4'-Methylenediphenyl diisocyanate C15H10N2O2 101-68-8 250.25 4.4-MDI 32
2,4'-Methylenediphenyl diisocyanate C15H10N2O2 5873-54-1 250.25 2.4-MDI 32
2,2'-Diisocyanatodiphenylmethane C15H10N2O2 2536-05-2 250.25 2,2,-MDI 32
Diphenylmethanediisocyanate C15H10N2O2 26447-40-5 250.25 MDI 32
3,3'-Dimethyl-4,4'-biphenylene isocyanate C16H12N2O2 91-97-4 264.09 Tolidine diisocyanate 31.8
3,3'-Dimethoxy-4,4'-biphenylene diisocyanate C16H12N2O4 91-93-0 296.28 Dianisidine diisocyanate  28.3
Benzene, 1-[(2,4-diisocyanatophenyl)methyl]- 3-isocyanato-2-methyl C17H11N3O3 94213-41-9 305.29 41.3
2,4,6-triisopropyl-m-phenylene diisocyanate C17H22N2O2 2162-73-4 286.17 29.5
   
Aromatic isocyanate crosslinker    
2,4-Toluenediisocyanate dimer C18H12N4O4 26747-90-0

348

 2,4-TDI dimer 24.1
Tris(4-isocyanatophenyl) thiophosphate C21H12N3O6PS 4151-51-3 465 27
4,4',4''-Triisocyanatotriphenylmethane C22H13N3O3 2422-91-5 367 34
2,4-Toluene diisocyanate trimer C27H18N6O6 26603-40-7

522

 TDI trimer 24.1
1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(2-isocyanatophenyl)methyl]phenyl] C30H20N4O4 94158-57-3 500.5 2,4-MDI dimer 16.8
1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl] C30H20N4O4 17589-24-1 500.5 4,4-MDI dimer 16.8
4,4-MDI uretidinone C44H30N6O4 31107-36-5 706.75 4,4-MDI trimer 17.8
Polymethylenepolyphenyl polyisocyanate unspecified 9016-87-9   Polymeric MDI 31.4
   
Aromatic isocyanates with aliphatic properties    
1,4-Xylylene diisocyanate C10H8N2O2 1014-98-8 188.18 p-Xylene diisocyanate 44.6
1,3-Xylylene diisocyanate C10H8N2O2 3634-83-1 188.18 m-Xylene diisocyanate 44.6
1,3-Bis(1-isocyanato-1-methylethyl)benzene C14H16N2O2 2778-42-9 244.29 m-TMXDI 34.4
1,4-Bis(1-isocyanato-1-methylethyl)benzene C14H16N2O2 2778-41-8 244.29 p-TMXDI 34.4
   
Aliphatic isocyanates    
1,6-Hexamethylene diisocyanate C8H12N2O2 822-06-0 168.2 HDI 50
1,5-Diisocyanato-2-methylpentane C8H12N2O2 34813-62-2

168.2

50
Methyl 2,6-diisocyanatohexanoate  C9H12N2O4 4460-02-0 212.2 Lysine diisocyanate methyl ester

39.6
Bis(isocyanatomethyl)cyclohexane C10H14N2O2 42170-25-2 194.23 43
1,3-Bis(isocyanatomethyl)cyclohexane C10H14N2O2 38661-72-2 194.23 43
2,2,4-Trimethylhexane 1,6-diisocyanate C11H18N2O2 16938-22-0 210.27 Trimethyl HDI 39.8
2,4,4-Trimethylhexane 1,6-diisocyanate C11H18N2O2 15646-96-5 210.27 Trimethyl HDI 39.8
2,5(6)-Bis(isocyanatomethyl)bicyclo[2.2.1]heptane C11H14N2O2 161973-12-2 206.27 NBDI 40.8
1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane C12H18N2O2 4098-71-9 222.28 IPDI 37.8
1,8-Diisocyanato-2,4-dimethyloctane C12H20N2O2 68882-56-4 224.3 37.4
Octahydro-4,7-methano-1H-indenedimethyl diisocyanate  C14H18N2O2 28807-72-9

246.3

 dicylopentadiene diisocyanate 34.1
1,1'-Methylenebis(4-isocyanatocyclohexane) C15H22N2O2 5124-30-1 262.35 HMDI 32
   
Aliphatic isocyanate crosslinker    
Hexamethylene diisocyanate dimer C16H24N4O4 23501-81-7 336.39 HDI dimer

25
Hexamethylene diisocyanate biuret C23H38N6O5 4035-89-6 478.6 HDI biuret 26
Hexamethylene diisocyanate isocyanurate C24H36N6O6 3779-63-3 504.6 HDI trimer

25
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato- 1,3,3-trimethylcyclohexyl)methyl] C36H54N6O6 67873-91-0 763.1 IPDI trimer

16.5
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, reaction products 5-isocyanato-1-(isocyanatomethyl)- 1,3,3-trimethylcyclohexane   68479-05-0   IPDI TMP adduct
Hexanoic acid, [[2-ethyl-2-[[[[[5-isocyanato-1(or 5)-(methoxycarbonyl)pentyl] amino]carbonyl]oxy] methyl]-1,3-propanediyl] bis(oxycarbonylimino)]  bis[isocyanato-, dimethyl ester C33H50N6O15 68310-46-3   Lysine diisocyanate methyl ester, TMP adduct
Note: This list was compiled from web sites of supplies, MSDS's and government web sites. For some product no commercial supplier was identified, this either indicates that this material is not anymore commercial or that the supplier does not disclose the CAS #. Under links you will also find the URL some of the web sites used and isocyanates not shown here.

Last edited on:

 November 14, 2006

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