1,3,5-Tris(6-isocyanatohexyl)biuret

Base Information

• Chemical Name: 1,3,5-Tris(6-isocyanatohexyl)biuret
• CAS No.: 4035-89-6
• Deprecated CAS: 111575-47-4,152976-32-4,159508-12-0,97917-21-0,1435054-40-2,152976-32-4,159508-12-0,97917-21-0
• Molecular Formula: C23H38 N6 O5
• Molecular Weight: 478.592
• European Community (EC) Number: 223-718-8
• UNII: F26Y090STF
• DSSTox Substance ID: DTXSID6027555
• Nikkaji Number: J217.851F
• Wikidata: Q26841332
• Metabolomics Workbench ID: 60404
• Mol file: 4035-89-6.mol

Synonyms:1,3,5-Tris(6-isocyanatohexyl)biuret;4035-89-6;Tris(6-isocyanatohexyl) biuret;Tris(isocyanatohexyl)biuret;Hexamethylene diisocyanate biuret;HDI-BT;N,N',2-tris(6-isocyanatohexyl)-imidodicarbonic diamide;Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-;EINECS 223-718-8;1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea;BRN 2192715;UNII-F26Y090STF;N,N,N'-tris(6-isocyanatohexyl)dicarbonimidic diamide;F26Y090STF;CHEBI:59101;ISOCYANIC ACID, TRIESTER with 1,3,5-TRIS(6-HYDROXYHEXYL)BIURET;1,3,5-Tris(6-hydroxyhexyl)biuret triisocyanate;HMDI BIURET;HDI-BIURET;Epitope ID:122972;DESMODUR N-100;tris(6-isocyanatohexyl)biuret;SCHEMBL308373;DTXSID6027555;C23H38N6O5;1,3,5-tris-(6-isocyanatohexyl)biuret;n,n',n''-tris(6-isocyanatohexyl)biuret;LS-84462;N-75;J217.851F;aerosolic hexamethylene diisocyanate-biuret trimer;W-109145;Q26841332;Imidodicarbonic diamie, N,N',2-tris(6-isocyanatohexyl)-;aerosolic HDI-BT (hexamethylene diisocyanate-biuret trimer);Imidodicarbonic diamine, N,N'-2-tris(6-isocyanatohexyl)-;N,N,N'-tris(6-isocyanatohexyl)-2-imidodicarbonic diamide;BIURET, 1,3,5-TRIS(6-HYDROXYHEXYL)-, TRIISOCYANATE (ESTER);(6-(BIS((6-ISOCYANATOHEXYL)AMINOCARBONYL)AMINO)HEXYL) ISOCYANATE;1-((6-ISOCYANATOHEXYL)CARBAMOYL)-1,3-BIS(6-ISOCYANATOHEXYL)UREA;((2,4-DIOXO-1,3,5-TRIAZAPENTANE-1,3,5-TRIYL)TRISHEXAMETHYLENE)TRISISOCYANATE;(6-ISOCYANATOHEXYL)IMINOBIS(CARBONYLIMINO)BIS(HEXAMETHYLENE)DIISOCYANATE;N-BIS(6-ISOCYANATOHEXAMETHYLENECARBAMOYL)-6-AMINOHEXAMETHYLENE ISOCYANATE

Chemical Property of 1,3,5-Tris(6-isocyanatohexyl)biuret

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 14.25±0.46(Predicted)
• Flash Point: °C
• PSA: 149.73000
• Density: 1.13g/cm³
• LogP: 4.17800
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 21
• Exact Mass: 478.29036833
• Heavy Atom Count: 34
• Complexity: 654

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1,3,5-TRIS(6-ISOCYANATOHEXYL)BIURET 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O
• Uses: Hexamethylene Diisocyanate Biuret Trimer is used as a building block for non-volatile polycondensation products, such as HDI-isocyanurate (HDI-IC) and HDI-biuret (HDI-BT).

Technology Process of 1,3,5-Tris(6-isocyanatohexyl)biuret

There total 1 articles about 1,3,5-Tris(6-isocyanatohexyl)biuret which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ biuret of 1,6-hexamethylene diisocyanate (4035-89-6)

Guidance literature:

1,6-Hexamethylendiisocyanat, H2O, 120-130gradC, 5 h;

Reference yield:

1,2,2,6,6-pentamethyl-piperidin-4-ol (2403-89-6) + biuret of 1,6-hexamethylene diisocyanate (4035-89-6) + pentaerythritol triacrylate (3524-68-3) → C56H85N7O20

Guidance literature:

1,2,2,6,6-pentamethyl-piperidin-4-ol; biuret of 1,6-hexamethylene diisocyanate; With dibutyltin(II) dilaurate; In tetrahydrofuran; at 55 ℃; for 4.5h;

pentaerythritol triacrylate; In tetrahydrofuran;

Reference yield:

1-octyloxy-2,2,6,6-tetramethyl-4-hydroxy-piperidine (131807-04-0) + biuret of 1,6-hexamethylene diisocyanate (4035-89-6) + pentaerythritol triacrylate (3524-68-3) → C63H99N7O21

Guidance literature:

1-octyloxy-2,2,6,6-tetramethyl-4-hydroxy-piperidine; biuret of 1,6-hexamethylene diisocyanate; With dibutyltin(II) dilaurate; In tetrahydrofuran; at 55 ℃; for 4.5h;

pentaerythritol triacrylate; In tetrahydrofuran;