Basic information
- CAS
4035-89-6- Standard SMILES
O=C=NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O- InChIKey
QKOWXXDOHMJOMQ-UHFFFAOYSA-N- Molecular formula
- C23H38N6O5
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.29036833
Overview
1,3,5-tris(6-isocyanatohexyl)biuret is a derivative of biuret having three 6-isocyanatohexyl groups at the 1-, 3- and 5-positions. It is functionally related to a biuret.
Names & identifiers
- Preferred name
- N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide
- IUPAC
- 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
- English name
- 1,3,5-tris(6-isocyanatohexyl)biuret
- Molecular formula
- C23H38N6O5
- Molecular weight
- 478.58
Names & synonyms
1,3,5-Tris(6-isocyanatohexyl)biuret4035-89-6Hexamethylene diisocyanate biuretTris(6-isocyanatohexyl) biuretTris(isocyanatohexyl)biuretHDI-BIURET1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)ureaHDI-BTN,N',2-tris(6-isocyanatohexyl)-imidodicarbonic diamideDESMODUR N-100EINECS 223-718-8Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-
Show more names
HDIBIURETbiuret of hdibiuret of hmdiHEXAMETHYLENEDIISOCYANATEBIURETHEXAMETHYLENEDIISOCYANATEBIURETTRIMERTRIMERICHEXAMETHYLENEDIISOCYANATEBIURETBIURETMODIFIEDHEXAMETHYLENEDIISOCYANATEN,N'-2-tris(6-isocyanatohexyl)-Imidodicarbonic diamide
BRN 2192715F26Y090STFCHEBI:59101HMDI BIURETISOCYANIC ACID, TRIESTER with 1,3,5-TRIS(6-HYDROXYHEXYL)BIURETN,N,N'-tris(6-isocyanatohexyl)dicarbonimidic diamidetris(6-isocyanatohexyl)biuretJ217.851F
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 654
Experimental & physicochemical properties
Melting Point-2.2 °F
Vapor Density1.114
Physical DescriptionThick liquid
Physicochemical properties
- Boiling point
- 577.29 °C · 577.29°C (rough estimate)
- Density
- 1.2186 · 1.2186 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 14.25 · 14.25±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 26 Y090STF · F26Y090STF
- EPA Substance Registry System
- 2 · Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)- (4035-89-6)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 92.1% (187 of 203) of all reports.
Not Classified
Aggregated GHS information provided per 203 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-
Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Toxicology
RAIS Toxicity Values
0.0004
CALEPA
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
5.70e+05
2.40e+06
4.20e-01
1.80e+00
5.00e+01
4.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
1.70e+06
7.10e+06
1.30e+00
5.30e+00
5.00e+01
4.00e-04
Safety data
- tsca
- TSCA listed
- ridadr
- 2281
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationImidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-: ACTIVE
Applications
UsesHexamethylene 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).
Suppliers17 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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