Hexahydro-1,3,5-tris(1-oxo-2-propenyl)-1,3,5-triazin
Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine
Grundinformationen
- CAS
959-52-4- Standard-SMILES
C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1- InChIKey
FYBFGAFWCBMEDG-UHFFFAOYSA-N- Summenformel
- C12H15N3O3
- Durchschnittliche Molmasse
- 249,27 g/mol
- Monoisotopische Masse
- 249,11134135
Namen und Bezeichner
- Bevorzugter Name
- Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine
- IUPAC
- 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
- Lokaler Name
- Hexahydro-1,3,5-tris(1-oxo-2-propenyl)-1,3,5-triazin
- Englischer Name
- 1,3,5-Triacryloylhexahydro-1,3,5-triazine
- Summenformel
- C12H15N3O3
- Molmasse
- 249.27
Namen und Synonyme
1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine2-Propen-1-one, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-DTXSID8052645RefChem:786108DTXCID5031218959-52-41,3,5-Triacryloylhexahydro-1,3,5-triazineTriacrylformalFixierer PTriacryloylperhydrotriazineTriacryloylhexahydrotriazine
Weitere Namen anzeigen
1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(prop-2-en-1-one)fixiererp
Triacryloylhexahydro-s-triazineTri(N-acryloyl)hexahydrotriazineTris(N-acryloyl)hexahydrotriazineTris(acryloyl)hexahydro-s-triazine1,3,5-Triacryloyl-s-triazine1,3,5-Triacryloylhexahydro-s-triazine1,3,5-TriacryloylhexahydrotriazineHexahydro-1,3,5-triacryloyl-s-triazine
Datenbank-Bezeichner
- CAS
959-52-4- PubChem CID
- 70397
- DTXSID
DTXSID8052645- UNII
- P69A1S76RB
- EC Number
- 213-501-6
- Nikkaji
- J39.660E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 60,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 343
Experimentelle und physikochemische Eigenschaften
Collision Cross Section160.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8052645]
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 °C · 156 °C (dec.) (lit.)
- Siedepunkt
- 392.37 °C · 392.37°C (rough estimate)
- Dichte
- 1.1998 · 1.1998 (rough estimate)
- Brechungsindex
- 1.529 · 1.5290 (estimate)
- Wasserlöslichkeit
- Slightly soluble in water
- Aggregatzustand
- powder to crystal
- pka
- -1 · -1.00±0.20(Predicted)
- Farbe
- White to Almost white
- 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
- InChIKey
- FYBFGAFWCBMEDG-UHFFFAOYSA-N
- SMILES
- N1(C(=O)C=C)CN(C(=O)C=C)CN(C(=O)C=C)C1
- CAS Datenbank
- 959 · 959-52-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)- (959-52-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H310 (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.
Gefahrenhinweise
Regulatory Information
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.
Hazard Classes and CategoriesAcute Tox. 2 (95.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2928 6.1/PG 2
- hs_code
- 29336990
- RTECS-Nr.
- XY9260000
- risk_code
- 23/24/25-34-42/43
- hazard_code
- T,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- 4.2
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 3 InhalationEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Propen-1-one, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-: ACTIVE
Anwendungen
VerwendenThe 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].
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