シアヌル酸 トリアリル
シアヌル酸 トリアリル · シアヌル酸トリプロパルギル · トリアリルシアヌラート · トリアリルシアナウラート · 2,4,6-トリ(アリルオキシ)-1,3,5-トリアジン · 2,4,6-トリ(2-プロペニルオキシ)-1,3,5-トリアジン · シアヌル酸トリアリル · 2,4,6-トリス(アリルオキシ)-1,3,5-トリアジン
識別子と物理属性
| CAS No. | 101-37-1 |
|---|---|
| 分子式 | C12H15N3O3 |
| 平均分子量 | 249.27 g/mol |
| 単同位体質量 | 249.11134135 g/mol |
| SMILES | C=CCOc1nc(OCC=C)nc(OCC=C)n1 |
| InChIKey | BJELTSYBAHKXRW-UHFFFAOYSA-N |
| PubChem CID | 7555 |
| ChEMBL | CHEMBL2145133 |
| ChEBI | CHEBI:191000 |
| EC No. | 202-936-7 |
| DTXSID | DTXSID8037754 |
| 現地名 | シアヌル酸 トリアリル |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 66.4 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 9 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 218 |
| Physical Description | LiquidLarge CrystalsColorless liquidmp = 26-27 deg C[Sigma-Aldrich MSDS] |
| Collision Cross Section | 175.0 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8037754]154.4 Ų [M+H]+ [CCS Type: DTIonization: APCI+154.2 Ų [M+H]+ [CCS Type: DT |
| 融点 | 26-28 °C |
| 沸点 | 156 °C |
| 密度 | 1.11 g/mL at 30 °C |
| 蒸気圧 | 1.3 hPa (100 °C) |
| 屈折率 | 1.5290 (estimate) |
| 引火点 | >230 °F |
| 貯蔵条件 | Store at <= 20°C. |
| 溶解度 | 0.3g/l6g/L(20℃) |
| pKa（酸解離定数） | 2.04±0.10(Predicted) |
| 外観・状態 | 油 |
| 色 | 無色 |
| 比重 | 1.11 |
| BRN | 235560 |
| ヘンリー定数 | 2.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 安定性 | 安定していますが、湿気に弱いです。酸、過酸化物、強力な酸化剤、銅、鉄およびそれらの塩とは相容れない。 |
| 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（分配係数） | 3.51 at 20℃ |
| CAS データベース | 101-37-1(CAS DataBase Reference) |
| NISTの化学物質情報 | 2,4,6-Triallyloxy-1,3,5-triazine(101-37-1) |
| EPAの化学物質情報 | 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)- (101-37-1) |
化学的特性
Colorless liquid or solid. Miscible with acetone, benzene, chloroform, dioxane, ethyl acetate, ethanol, and xylene. Combustible.
安全性と法規制
| GHS 分類 | WarningH302 (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. |
|---|---|
| 規制情報 | 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/156072,4,6-Tris(allyloxy)-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Causes somnolence in inhalation lethal-concentration studies of rats and dermal lethal-dose studies of rabbitsCauses lachrymation, somnolence, and changes in the structure or function of salivary glands in oral lethal-dose studies of ratsCauses 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 irritationHarmful by ingestion[Sigma-Aldrich MSDS] See Sodium cyanurate. |
| History and Incidents | April 12, 2004, the MFG Chemical Inc. unintended decomposition reaction, 154 hospitalized |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Aquatic Chronic 2 (100%)Acute toxicity (Oral) - Category 4 |
用途
用途
架橋用コモノマーとして各種ビニルポリマーの強度,耐熱性の改質に用いる。たとえばタイヤコード用接着剤,後架橋硬化型の塩化ビニル樹脂,ポリエチレン,エチレン系共重合体,フッ素ゴム,ケイ素ゴム等に用いられる。
用途
有機合成原料。
使用
Polymers 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.