1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione
fo-a6576bb9395bf1f0
Identity
- Type
- Neutral molecule
- CAS
- 3779-63-3
- EC
- 223-242-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
31- (2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate
- (2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethyleneisocyanate)
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-
- 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6 (1H,3H,5H)-trione
- 1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- 1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6-trione
- 1,3,5-tris(isocyanatohexamethylene)isocyanurate
- 1,6-Hexamethylene diisocyanate isocyanurate trimer
- Desmodur Ultra N 3800
- HDI cyclic trimer
- HDI isocyanurate trimer
- HDI trimer
- HDI-IC
- Hexamethylene diisocyanate cyclic trimer
- hexamethylene diisocyanate isocyanurate
- Hexamethylene diisocyanate isocyanurate trimer
- Hexamethylene diisocyanate trimer
- HMDI cyclic trimer
- HMDI isocyanurate trimer
- homopolymer (isocyanurate) of HDI
- homopolymer (isocyanurate) of hexamethylene diisocyanate
- Isocyanic acid, (2,4,6-trioxo-s-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) ester
- Isocyanic acid, (trioxo-s-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) ester
- Isocyanurate trimer of hexamethylenediisocyanate
- Isocyanurate-based hexamethylene diisocyanate trimer
- N,N′,N′′-Tris(6-isocyanatohexyl)isocyanurate
- Tri-HT 100
- trimeric hexamethylene diisocyanate
- tris(6-isocyanatohexyl) isocyanurate
- Tris(6-isocyanatohexyl)isocyanurate
- Tris(hexamethylene triisocyanate)
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KCZQSKKNAGZQSZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2 |
| IUPAC name chemrof:IUPAC_name | 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione |
| Molecular formula chemrof:molecular_formula | C24H36N6O6 |
| Molecular mass chemrof:molecular_mass | 504.588 |
| Monoisotopic mass chemrof:monoisotopic_mass | 504.26963, 504.269633 |
| SMILES string chemrof:smiles_string | O=C=NCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=O |
Known URLs
14Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=116038-88-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3779-63-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59098 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.130 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7027548 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DE5PQE5835 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.678E | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=60402 | enrich_references.pubchem_identifier_url |
| patent | patent:US4910332 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/77411 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11836021 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32302507 | enrich_references.chebi_xrefs |
| reaxys | reaxys:5367504 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27126457 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 29eebc92-7bc4-4e15-977a-a592daec0af3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a6161292-dce9-4d01-879e-eaa850e78059 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 84045104-7f87-487b-9e1b-8ad95e381787 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 080ccd44-7c29-4676-8c0e-16aa0bd162e7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2d3f86ec-18aa-46b7-a74f-1e25132f872a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| aa45222b-ac78-439e-ab67-1e827a241222 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f6bbfcc7-9d81-4ac4-8a55-e3c1a1d8e14b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b5c73d01-3b69-480d-a02b-167a6da82788 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| bcaef434-3221-4e66-b175-39e5cf202ebf | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| a5fad1e6-5856-4b1e-95ed-0bb01bc28f53 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e88c8bd9-4cea-4de9-9237-eeee92dda7cb | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d916bcea-60e8-4320-9415-e972134a768a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5162c593-c6a0-4b33-9e92-a41a3d09047d | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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{
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{
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{
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{
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},
{
"@value": "trimeric hexamethylene diisocyanate",
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{
"@value": "tris(6-isocyanatohexyl) isocyanurate",
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{
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},
{
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"properties": {
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works