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HCID 70397Erstellt: 4. November 2026
Hexahydro-1,3,5-tris(1-oxo-2-propenyl)-1,3,5-triazin
1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(prop-2-en-1-one) · triacrylformal · hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine · fixiererp · triacryloylperhydrotriazine · triacryloylhexahydrotriazine · triacryloylhexahydro-s-triazine · tri(n-acryloyl)hexahydrotriazine
https://huagongshe.com/de/chemical/70397
Identifikatoren & physikalische Daten
| CAS No. | 959-52-4 |
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| Summenformel | C12H15N3O3 |
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| Durchschnittliche Molmasse | 249,27 g/mol |
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| Monoisotopische Masse | 249,11134135 g/mol |
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| SMILES | C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1 |
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| InChIKey | FYBFGAFWCBMEDG-UHFFFAOYSA-N |
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| PubChem CID | 70397 |
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| EC No. | 213-501-6 |
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| DTXSID | DTXSID8052645 |
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| Lokaler Name | Hexahydro-1,3,5-tris(1-oxo-2-propenyl)-1,3,5-triazin |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 60,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 343 |
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| Collision Cross Section | 160.1 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8052645] |
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| Schmelzpunkt | 156 °C (dec.) (lit.) |
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| Siedepunkt | 392.37°C (rough estimate) |
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| Dichte | 1.1998 (rough estimate) |
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| Brechungsindex | 1.5290 (estimate) |
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| Löslichkeit | Slightly soluble in water |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | -1.00±0.20(Predicted) |
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| Farbe | White to Almost white |
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| InChI | InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2 |
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| InChIKey | FYBFGAFWCBMEDG-UHFFFAOYSA-N |
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| SMILES | N1(C(=O)C=C)CN(C(=O)C=C)CN(C(=O)C=C)C1 |
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| CAS Datenbank | 959-52-4(CAS DataBase Reference) |
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| EPA chemische Informationen | 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)- (959-52-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH310 (95.3%): Fatal in contact with skin [Danger Acute toxicity, dermal]P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-REACH registered substance: Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine (EC: 213-501-6)1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Acute Tox. 2 (95.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 2928 6.1/PG 2 |
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| Zollcode | 29336990 |
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| RTECS-Nr. | XY9260000 |
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| R-Sätze (R) | 23/24/25-34-42/43 |
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| Gefahrensymbole | T,Xi |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 4.2Acute Tox. 2 DermalAcute Tox. 3 InhalationEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
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| Verpackungsgruppe | II |
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| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
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Anwendungen & Verwendung
Verwenden
The 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT) is a quaternary ammonium compound that presents three aliphatic double bonds on its chemical structure. For this reason, TAT is a candidate for antibacterial activity in methacrylate-based materials as it copolymerizes into the structure, contributing to the stability of these composites. Incorporating TAT into methacrylate-based cement could lead to the production of materials that avoid bacterial colonization and are more prone to resist degradation by bacterial and non-bacterial products[1].
