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Hexamethylene diisocyanate isocyanurate trimer

Hexamethylene diisocyanate isocyanurate trimer structure

CAS No:
3779-63-3
Formula:
C24H36N6O6
Chemical Name:
Hexamethylene diisocyanate isocyanurate trimer
Synonyms:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(6-isocyanatohexyl)-;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;1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;Tris(6-isocyanatohexyl)isocyanurate;Tris(hexamethylene triisocyanate);Hexamethylene diisocyanate cyclic trimer;Hexamethylene diisocyanate trimer;Hexamethylene diisocyanate isocyanurate trimer;HDI isocyanurate trimer;Isocyanurate-based hexamethylene diisocyanate trimer;N,N′,N′′-Tris(6-isocyanatohexyl)isocyanurate;HMDI cyclic trimer;HMDI isocyanurate trimer;Isocyanurate trimer of hexamethylenediisocyanate;1,6-Hexamethylene diisocyanate isocyanurate trimer;HDI trimer;1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione;HT 100;111566-06-4;112901-98-1;122782-48-3;127545-84-0;134016-53-8;140687-52-1;192140-88-8;808167-79-5;1447694-95-2;1629856-25-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A derivative of isocyanuric acid having a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions.

1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione is a triisocyanate being a derivative of isocyanuric acid with a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions. It derives from an isocyanuric acid.

Hexamethylene diisocyanate isocyanurate trimer Basic Attributes

Molecular Weight：

504.57900

Exact Mass：

504.58

EC Number：

223-242-0

UNII：

DE5PQE5835

DSSTox ID：

DTXSID7027548

HScode：

2933699090

Characteristics

PSA：

154.29000

XLogP3：

1.86030

Density：

1.2g/cm3

Melting Point：

>300 °C

Boiling Point：

648.2ºC at 760mmHg

Flash Point：

345.8ºC

Refractive Index：

1.601

Safety Information

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 184 companies from 3 notifications to the ECHA C&L Inventory.

Hexamethylene diisocyanate isocyanurate trimer Use and Manufacturing

Manufacturing Info：

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:504.6
XLogP3:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:21
Exact Mass:504.26963289
Monoisotopic Mass:504.26963289
Topological Polar Surface Area:149
Heavy Atom Count:36
Complexity:713
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexamethylene diisocyanate isocyanurate trimer

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Hexamethylene diisocyanate isocyanurate trimer

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