2,4,6-트리알릴옥시-1,3,5-트리아지
2,4,6-트리알릴옥시-1,3,5-트리아지 · TAC · TRIALLYL CYANURATE · 2,4,6-TRIS(ALLYLOXY)-1,3,5-TRIAZINE · 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)- · 5-T · - TAC · TAC-70
식별자 및 물리적 특성
| CAS No. | 101-37-1 |
|---|---|
| 분자식 | C12H15N3O3 |
| 평균 분자량 | 249.27 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 2,4,6-트리알릴옥시-1,3,5-트리아지 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 66.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 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 |
| 녹는점 | 26-28 °C |
| 끓는 점 | 156 °C |
| 밀도 | 1.11 g/mL at 30 °C |
| 증기압 | 1.3 hPa (100 °C) |
| 굴절률 | 1.5290 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Store at <= 20°C. |
| 용해도 | 0.3g/L |
| pKa(산도 계수) | 2.04±0.10(Predicted) |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 비중 | 1.11 |
| 용해도 | 6g/L(20 ºC) |
| BRN | 235560 |
| 헨리 상수 | 2.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 안정성 | 안정적이지만 습기에 민감합니다. 산, 과산화물, 강산화제, 구리, 철 및 그 염과 호환되지 않습니다. |
| 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(분배 계수) | 3.51 at 20℃ |
| NIST | 2,4,6-Triallyloxy-1,3,5-triazine(101-37-1) |
| EPA | 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)- (101-37-1) |
화학적 성질
Colorless liquid or solid. Miscible with acetone, benzene, chloroform, dioxane, ethyl acetate, ethanol, and xylene. Combustible.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 유해성 요약 | 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 4Specific target organ toxicity - Single exposure - Category 2 (central nervous system)Specific target organ toxicity - Repeated exposure - Category 2 (central nervous system, liver) |
| Toxicity Data | LC50 (rat) > 333 mg/m3/1hr |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XZ2080000 |
| 운송 번호(UN) | UN 3077 9/PG 3 |
| 독성 | LD50 orally in Rabbit: 753 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| 관세 코드 | 2933 69 80 |
| 위험 문구(R) | 22-51/53 |
| 위험 표시 | Xn,N |
| 안전 문구(S) | 36-61 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralAquatic Chronic 2 |
| 기존화학 물질 | KE-34928 |
| F 고인화성물질 | 21 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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.