Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,3,5-트리글리시딜 이소시아누르산염
1,3,5-트리글리시딜이소시아누르산염 · 트리글리시딜이소시아누레이트 · 1,3,5-트라이글리시딜 아이소사이아누레이트 · 1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온, 1,3,5-트리스(2-옥시레이닐메틸)- · 1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온, 1,3,5-트리스(옥시레이닐메틸)- · 1,3,5-트리스(2,3-에폭시프로필)-1,3,5-트라이아진-2,4,6-(1H,3H,5H)-트라이온 · 1,3,5-트리스(옥시란-2-일메틸)-1,3,5-트라이아지네인-2,4,6-트라이온 · 1,3,5-트리스(옥시란일메틸)-1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온
식별자 및 물리적 특성
| CAS No. | 2451-62-9 |
|---|---|
| 분자식 | C12H15N3O6 |
| 평균 분자량 | 297.26 g/mol |
| 단동위원소 질량 | 297.0960852 g/mol |
| SMILES | O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 |
| InChIKey | OUPZKGBUJRBPGC-UHFFFAOYSA-N |
| PubChem CID | 17142 |
| ChEMBL | CHEMBL453863 |
| EC No. | 219-514-3 |
| DTXSID | DTXSID4026262 |
| 현지명 | 1,3,5-트리글리시딜 이소시아누르산염 |
화학 및 물리적 성질
| XLogP | -1.5 |
|---|---|
| 극성 표면적 | 98.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 416 |
| Polymers | Plastics & Rubber -> Epoxy Resins |
| LogP(분배 계수) | -0.8 (technical grade) |
| 냄새 | No odor at room temperature |
| 밀도 | 142-144 at 20 °C1,42 g/cm3 |
| Color/Form | White crystalline solid |
| 용해도 | less than 1 mg/mL at 68 °F (NTP, 1992)Exists as a mixture of 2 pairs of diastereomer racemates, designated alpha and beta, that are separable on the basis of their solubility propertieslog Kow: -0.8. Solubility in water: 0.9 g/100 mL at 25 °C /Triglycidyl isocyanurate technical grade/In water, 9-10.5 g/L at 25 °C, pH 5-8In water, <1 mg/mL at 68 °FSoluble in waterDMSO: 50 mg/mL (168.20 mM) |
| 인화점 | 170 °C /Open cup vs. closed cup not specified/>170 °C c.c. (technical grade) |
| 끓는 점 | > 240 °C, decompositionBP: 210 °C at 0.2 mm Hg438.78°C (rough estimate) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).When heated to decomposition it emits toxic vapors of /nitrogen oxides and cyanide/. |
| 녹는점 | 203 to 208 °F (NTP, 1992)95 °CMP: 203 to 208 °FCrystals from methanol. MP: 103-104.5 °C. Also reported as crystals from frational crystalization from methanol. MP: 95-103 °C. Enthalpy of fusion: 77.0 J/g /alpha-thioglycidyl isocyanurate/203-208 °F95-98°C |
| Polymerization | Hazardous autopolymerization occurs following heating to >120 °C for more than 12 hours.Triglycidyl isocyanurate ... can be polymerized by catalysts and may undergo violent autopolymerization. |
| 증기압 | <0.007 Pa /5.25X10-5 mm Hg/ at 20 °C0.007Pa at 20℃ |
| 굴절률 | 1.5290 (estimate) |
| 저장 조건 | Store at 4°C |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | -2.44±0.20(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 20°C에서 <0.1g/100mL |
| InChI | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2 |
| InChIKey | OUPZKGBUJRBPGC-UHFFFAOYSA-N |
| SMILES | N1(CC2CO2)C(=O)N(CC2CO2)C(=O)N(CC2CO2)C1=O |
| LogP(분배 계수) | -0.8 at 20℃ |
| EPA | Triglycidyl isocyanurate (2451-62-9) |
화학적 성질
White powder or chunks
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-Hazard Traits - Genotoxicity1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)- 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)REACH registered substance: 1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (EC: 219-514-3)Substance: 1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione (TGIC)1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, (triglycidalisocyanurate): HSNO Approval: HSR001553 Approved with controls |
| 기타 안전 정보 | PEC / SN / Other assessments - Triglycidylisocyanurate (TGIC): Health and Environment |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 화재 가능성 | A combustible liquid. |
| 유해성 요약 | A nonsmoking spray painter, after using a polyester powder paint containing 4% TGIC for four years, developed allergic contact dermatitis and work-related asthma. The painter had negative skin tests for common allergens and negative challenge test with lactose powder. A challenge test with 4% TGIC induced a dual response with a late 23% fall in FEV1. [Piirila P, et al. Occupational Asthma Caused by Triglycidyl Isocyanurate (TGIC). Clin Exp Allergy 1997 May27(5):510-4] TGIC causes male reproductive damage in high-dose animal studies. [ACGIH] A severe eye irritantMay cause skin sensitization |
용도
개요
Occupational contact dermatitis can occur in people producing this chemical, in those producing the powder coat paint and in sprayers.
용도
1,3,5-triglycidyl isocyanurate be used for curing agent of polyester and acrylic resin carboxyl-containing powder coating, manufacturing an electrical insulating laminates, adhesives, plastics stabilizers.
일반 설명
White crystalline solid.