HCID169132

Isophorone diisocyanate

5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

C12H18N2O2222.28 g/molCAS 4098-71-9

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IDENTITY

结构与身份

标准SMILES: CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1
InChIKey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
分子式: C12H18N2O2
平均分子量: 222.28 g/mol
单同位素质量: 222.13682782

COMPUTED

结构计算性质

等待补全

XLogP: 4.5
极性表面积: 58.9 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 352

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 74 条

ISOPHORONE DIISOCYANATE4098-71-9IPDI5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexaneIsophorone diamine diisocyanateCyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanateDTXSID00238263-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanateIsocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) esterCHEBI:532143,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanateDTXCID90382643B08565281,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexaneRefChem:76413-isocyanatomethyl-3,5,5-trimethylcyclohexyl-isocyanate

REACTIONS

参与反应

108 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID23304

uspto-grants-2005_02

作为反应物

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06850682B2

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HRID23969

uspto-grants-2005_02

作为反应物

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855745B2

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HRID43991

uspto-grants-2013_09

作为反应物

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08538230B2

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HRID68182

uspto-grants-2014_09

作为反应物

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08821841B2

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HRID237182

uspto-grants-2014_02

作为反应物

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642178B2

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HRID327381

uspto-grants-1993_12

作为反应物

uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05273826

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HRID341721

uspto-grants-1999_01

作为反应物

uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05856014

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HRID345622

uspto-grants-1991_10

作为反应物

uspto-grants-1991_10 · 10.6084/m9.figshare.5104873.v1 · US05057610

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