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HCID 106924Erstellt: 30. Oktober 2026

3,3',3''-[(1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazin-1,3,5-triyltris(methylen)]tris[3,5,5-trimethylcyclohexyl]triisocyanat

Einecs 267-445-2 · IPDIISOCYANURATE · N,N',N''-Tris(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)-2,4,6-triketohexahydrotriazine · 1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato- 1,3,3-trimethylcyclohexyl)methyl]- · 2,4,6-Trioxohexahydro-1,3,5-triazine-1,3,5-triyltris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]triisocyanate · 3,3',3''-((1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazine-1,3,5-triyltris(methylene))tris(3,5,5-trimethylcyclohexyl) triisocyanate · 3,3',3''-[(1H,3H,5H)-2,4,6-trioxo-1,3,5-triazine-1,3,5-triyltris(methylene)]tris[3,5,5-trimethylcyclohexyl] triisocyanate

https://huagongshe.com/de/chemical/106924

Molekülstruktur von 3,3',3''-[(1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazin-1,3,5-triyltris(methylen)]tris[3,5,5-trimethylcyclohexyl]triisocyanat

Identifikatoren & physikalische Daten

CAS No.67873-91-0
SummenformelC36H54N6O6
Durchschnittliche Molmasse666,8 g/mol
Monoisotopische Masse666,41048346 g/mol
SMILESCC1(C)CC(N=C=O)CC(C)(Cn2c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c2=O)C1
InChIKeyBPRIYMTXVBEDNJ-UHFFFAOYSA-N
PubChem CID106924
EC No.267-445-2
DTXSIDDTXSID70867369
Lokaler Name3,3',3''-[(1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazin-1,3,5-triyltris(methylen)]tris[3,5,5-trimethylcyclohexyl]triisocyanat

Chemische & physikalische Eigenschaften

XLogP9,9
Polarare Oberfläche (TPSA)149
H-Brücken-Donoren0
H-Brücken-Akzeptoren9
Frei drehbare Bindungen9
Schwere Atome48
Formalladung0
Komplexität1.260
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionTriisocyanatoisocyanurate of isophoronediisocyanate, solution (70%) appears as a clear to light colored liquid. Exposure to this material should be avoided. Used to make other chemicals.
Siedepunkt692.0±20.0 °C(Predicted)
Dichte1.20±0.1 g/cm3(Predicted)
pKa (Säurekonstante)-2.20±0.20(Predicted)
EPA chemische Informationen1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]- (67873-91-0)

Sicherheit & Vorschriften

DOT-KennzeichnungPoison Flammable Liquid
BrandgefahrenExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
GesundheitsgefahrenExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Reaktive GruppeIsocyanates and Isothiocyanates
Reactivity ProfileIsocyanates and thioisocyanates, such as TRIISOCYANATOISOCYANURATE OF ISOPHORONEDIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide.
Air and Water ReactionsFlammable.
BrandbekämpfungExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Erste HilfeExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Freisetung ohne BrandExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
TSCA-Inventar-StatusTSCA listed