기본 정보
- CAS
3779-63-3- 표준 SMILES
O=C=NCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=O- InChIKey
KCZQSKKNAGZQSZ-UHFFFAOYSA-N- 분자식
- C24H36N6O6
- 평균 분자량
- 504.6 g/mol
- 단동위원소 질량
- 504.26963289
개요
1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione is a triisocyanate being a derivative of isocyanuric acid with a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions. It is functionally related to an isocyanuric acid.
이름 및 식별자
- 우선 이름
- Tris(6-isocyanatohexyl)isocyanurate
- IUPAC
- 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione
- 현지명
- 트리스헥사메틸렌 트리아이소시안산
- 영어명
- (2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate
- 분자식
- C24H36N6O6
- 분자량
- 504.58
이름 및 동의어
3779-63-3tris(6-isocyanatohexyl)isocyanurateHexamethylene Diisocyanate Isocyanurate Trimer(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-HDI ISOCYANURATEHMDI ISOCYANURATEHMDI CYCLIC TRIMEREINECS 223-242-0HDI ISOCYANURATE TRIMERDE5PQE5835HMDI ISOCYANURATE TRIMER
이름 더 보기
트리스헥사메틸렌트라이아이소사이안산트리스헥사메틸렌트리아이소시안산트리스헥사메틸렌트라이아이소사이안산(TRISHEXAMETHYLENETRIISOCYANATE)N33001,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trioneTolonate HDTTRISHEXAMETHYLENE TRIISOCYANATE)HDI-ICN3390 BA/SNHDIISOCYANURATECoronate HXSee also3779-63-3 Coronate HXSee also
TRIS(HEXAMETHYLENE TRIISOCYANATE)DTXSID7027548EC 223-242-0Isocyanic acid, (2,4,6-trioxo-s-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) ester1,6-HEXAMETHYLENEDIISOCYANATE TRIMERn,n',n''-tris(6-isocyanatohexyl)isocyanurateHEXAMETHYLENE DIISOCYANATE CYCLIC TRIMER1,6-HEXAMETHYLENE DIISOCYANATE ISOCYANURATE
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 713
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Polymers
Food Contact SubstancesFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionClear light liquid; [3M MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C
- 끓는 점
- 648.2 · 648.2±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 증기압
- 0.001 Pa · 0.001Pa at 20℃
- 산도 계수 (pKa)
- -2.17 · -2.17±0.20(Predicted)
- InChI
- InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2
- InChIKey
- KCZQSKKNAGZQSZ-UHFFFAOYSA-N
- SMILES
- N1(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C1=O
- LogP
- 9.81 at · 9.81 at 20℃
- EPA
- 1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)- (3779-63-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (6 of 296) of reports.
Warning
H317 (98%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P271, P272, P280, P302+P352, P304+P340, P317, P319, P321, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 296 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: (2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate (EC: 223-242-0)
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A respiratory tract irritant; May cause skin sensitization; Harmful by inhalation; [ECHA REACH Registrations] A moderate skin and eye irritant; An upper respiratory tract irritant; May cause skin sensitization and cross-sensitization reactions with other isocyanates; [3M MSDS] See DIISOCYANATES.
Hazard Classes and CategoriesSkin Sens. 1 (98%)
독성 정보
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
RAIS Toxicity Values
0.0045
화학 및 산업
용도 및 제조
UsesUsed to make plastic products, non-metallic mineral products (i.e. plasters and cement), and in building/construction work; [ECHA REACH Registrations] Used as a sealing compound (part B); [3M MSDS]
General Manufacturing Information1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-: ACTIVE
응용 분야
용도Hexamethylene Diisocyanate Isocyanurate Trimer is used as a building block for non-volatile polycondensation products, such as HDI-isocyanurate (HDI-IC) and HDI-biuret (HDI-BT).
공급사67 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
江苏普乐司生物科技有限公司
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