Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 106924생성일: 2026년 10월 30일
Tris((3-isocyanato-1,5,5-trimethylcyclohexyl)methyl)isocyanurate
Einecs 267-445-2 · IPDIISOCYANURATE · N,N',N''-Tris(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)-2,4,6-triketohexahydrotriazine · 1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato- 1,3,3-trimethylcyclohexyl)methyl]- · 2,4,6-Trioxohexahydro-1,3,5-triazine-1,3,5-triyltris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]triisocyanate · 3,3',3''-((1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazine-1,3,5-triyltris(methylene))tris(3,5,5-trimethylcyclohexyl) triisocyanate · 3,3',3''-[(1H,3H,5H)-2,4,6-trioxo-1,3,5-triazine-1,3,5-triyltris(methylene)]tris[3,5,5-trimethylcyclohexyl] triisocyanate
https://huagongshe.com/ko/chemical/106924
식별자 및 물리적 특성
| CAS No. | 67873-91-0 |
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| 분자식 | C36H54N6O6 |
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| 평균 분자량 | 666.8 g/mol |
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| 단동위원소 질량 | 666.41048346 g/mol |
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| SMILES | CC1(C)CC(N=C=O)CC(C)(Cn2c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c2=O)C1 |
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| InChIKey | BPRIYMTXVBEDNJ-UHFFFAOYSA-N |
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| PubChem CID | 106924 |
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| EC No. | 267-445-2 |
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| DTXSID | DTXSID70867369 |
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화학 및 물리적 성질
| XLogP | 9.9 |
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| 극성 표면적 | 149 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 9 |
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| 회전 가능 결합 수 | 9 |
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| 무거운 원자 수 | 48 |
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| 형식 전하 | 0 |
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| 복잡도 | 1,260 |
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| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
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| Physical Description | Triisocyanatoisocyanurate of isophoronediisocyanate, solution (70%) appears as a clear to light colored liquid. Exposure to this material should be avoided. Used to make other chemicals. |
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| 끓는 점 | 692.0±20.0 °C(Predicted) |
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| 밀도 | 1.20±0.1 g/cm3(Predicted) |
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| pKa(산도 계수) | -2.20±0.20(Predicted) |
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| EPA | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]- (67873-91-0) |
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안전 및 규제
| 운송 라벨(DOT) | Poison Flammable Liquid |
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| 화재 위험 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| 건강 유해성 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| 반응성 그룹 | Isocyanates and Isothiocyanates |
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| Reactivity Profile | Isocyanates and thioisocyanates, such as TRIISOCYANATOISOCYANURATE OF ISOPHORONEDIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. |
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| Air and Water Reactions | Flammable. |
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| 소화 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| 응급 처치 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| 비화재 누출 대응 | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| Isolation and Evacuation | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
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| TSCA 등재 상태 | TSCA listed |
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| 기존화학 물질 | KE-34319 |
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