Grundinformationen
- CAS
101-37-1- Standard-SMILES
C=CCOc1nc(OCC=C)nc(OCC=C)n1- InChIKey
BJELTSYBAHKXRW-UHFFFAOYSA-N- Summenformel
- C12H15N3O3
- Durchschnittliche Molmasse
- 249,27 g/mol
- Monoisotopische Masse
- 249,11134135
Namen und Bezeichner
- Bevorzugter Name
- Triallyl cyanurate
- IUPAC
- 2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
- Lokaler Name
- 2,4,6-Triallyloxy-1,3,5-triazin
- Englischer Name
- 2,4,6-Triallyloxy-1,3,5-triazi
- Summenformel
- C12H15N3O3
- Molmasse
- 249.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
101-37-1- PubChem CID
- 7555
- DTXSID
DTXSID8037754- ChEMBL
CHEMBL2145133- ChEBI
CHEBI:191000- UNII
- CDD3388O1D
- EC Number
- 202-936-7
- Nikkaji
- J39.663J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 218
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid; Large Crystals
Colorless liquid; mp = 26-27 deg C; [Sigma-Aldrich MSDS]
Collision Cross Section
175.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8037754];154.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8037754];154.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8037754]
Physikochemische Eigenschaften
- Schmelzpunkt
- 26 · 26-28 °C
- Siedepunkt
- 156 °C · 156 °C
- Dichte
- 1.11 g/mL · 1.11 g/mL at 30 °C
- Dampfdruck
- 1.3 hPa · 1.3 hPa (100 °C)
- Brechungsindex
- 1.529 · 1.5290 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 20 °C · Store at <= 20°C.
- Löslichkeit
- 0.3 g/l · 0.3g/l
- pka
- 2.04 · 2.04±0.10(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- Wichte
- 1.11 · 1.11
- Wasserlöslichkeit
- 6 g/L · 6g/L(20 ºC)
- BRN
- 235560 · 235560
- Henry's Law Constant
- 2.3 · 2.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Stabilität
- Stable, but moisture-sensitive. Incompatible with acids, peroxides, strong oxidizing agents, copper, iron and its salts.
- InChI
- 1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2
- InChIKey
- BJELTSYBAHKXRW-UHFFFAOYSA-N
- SMILES
- C=CCOc1nc(OCC=C)nc(OCC=C)n1
- LogP
- 3.51 at · 3.51 at 20℃
- CAS Datenbank
- 101 · 101-37-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,4,6-Triallyloxy-1,3,5-triazine(101-37-1)
- EPA chemische Informationen
- 1 · 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)- (101-37-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 261 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-
1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 07-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15607
2,4,6-Tris(allyloxy)-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence in inhalation lethal-concentration studies of rats and dermal lethal-dose studies of rabbits; Causes lachrymation, somnolence, and changes in the structure or function of salivary glands in oral lethal-dose studies of rats; Causes altered sleep time (including change in righting reflex), convulsions, and effects on other transferases in 28-day constant oral studies of rats; [RTECS] May cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Sodium cyanurate.
Hazard Classes and Categories
Acute Tox. 4 (100%);Aquatic Chronic 2 (100%)
Acute toxicity (Oral) - Category 4;Specific target organ toxicity - Single exposure - Category 2 (central nervous system);Specific target organ toxicity - Repeated exposure - Category 2 (central nervous system, liver)
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-
1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 07-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15607
2,4,6-Tris(allyloxy)-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 21
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2933 69 80
- RTECS-Nr.
- XZ2080000
- risk_code
- 22-51/53
- Toxizität
- LD50 orally in Rabbit: 753 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- hazard_code
- Xn,N
- safety_code
- 36-61
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Synthetic Rubber Manufacturing;Rubber Product Manufacturing;Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;All Other Chemical Product and Preparation Manufacturing
1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-: ACTIVE
Anwendungen
VerwendenPolymers as monomer and modifier, organic intermediate. Triallyl Cyanurate is used preferentially as a cross-linking agent in copolymers. On heating it may polymerize violently and then isomerize to the more stable triallyl isocyanurate [1025-15-6] with the allyl groups attached to the nitrogen atoms. At 30 ℃ viscous solutions of prepolymers form slowly. Triallyl cyanurate is used for the production of heat- and solvent-resistant coatings and moldings, reinforced plastics, and adhesives. Addition of 5 – 10% triallyl cyanurate to polyester – styrene or methyl methacrylate yields cast sheets of improved mechanical and thermal stability. Short-term heating of triallyl cyanurate with polymers in the presence of peroxides at 180 ℃ gives cross-linking; valuable copolymers are thus obtained from poly(vinyl chloride) elastomers and fluoroelastomers. Ethylene polymers and copolymers also may be crosslinked under similar reaction conditions. High-impact plastics have been obtained by grafting butyl acrylate-triallyl cyanurate copolymer with a styrene – acrylonitrile mixture. Other examples of peroxide-initiated curing with triallyl cyanurate (2 – 5 %) at 150 – 160 ℃ are polyurethanes, nylons, cellulose, polyoxyethylene, vinyl-substituted polysiloxanes, and acrylate copolymers. Crosslinking of polycarbonate with triallyl cyanurate by UV irradiation in the presence of polythiols gives scratch-resistant coatings.
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