计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
有货
为什么选择此级别
异构体混合物 级 提供 ≥90% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,充氩。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 62 篇同行评审文献引用。
概述
储存条件：避免加热
4,4′-亚甲基双（环己基异氰酸酯）异构体混合物（HMDI）是一种具有良好机械性能的芳族二异氰酸酯。它具有光稳定性，并且耐水解。它主要可用于聚氨酯的合成。
应用
HMDI可形成NCO键，其可用于各种生物医学应用的聚氨酯合成中。
4,4′-Methylenebis(cyclohexyl isocyanate), mixture of isomers (HMDI) is an aromatic diisocyanate with good mechanical properties. It is light stable and is resistant to hydrolysis. It is majorly used in the synthesis of polyurethane.
Application
HMDI forms NCO linkages which can be used in the synthesis of polyurethanes for a variety of biomedical applications.
规格
别名
氢化 MDI
英文别名
HMDI | AKOS000120188 | Cyclohexane, 1,1'-methylenebis[4-isocyanato-, (trans,trans)- | D2380 | SCHEMBL8733246 | TRANS-TRANS-METHYLENEBIS(4-CYCLOHEXYLISOCYANATE) | Isocyanic acid, methylenedi-4,1-cyclohexylene ester, cis,cis- | 4,4'-Diisocyanatodicyclohexyl
规格或纯度
异构体混合物, ≥90%
英文名称
Dicyclohexylmethane 4,4'-Diisocyanate(HMDI)
储存条件
2-8°C储存,充氩
运输条件
低温运输
纯度
≥90%
名称和识别符
PubChem SID
EC号
225-863-2
分子类型
小分子
IUPAC Name
1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
INCHI
1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2
InChi Key
KORSJDCBLAPZEQ-UHFFFAOYSA-N
Smiles
C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
Isomeric SMILES
C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
UN Number
Packing Group
II
分子量
262.35
Reaxy-Rn
2217800
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217800&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机氮化合物 |
| 类（Class) | 有机氮化合物 |
| 亚类（Subclass） | 异氰酸酯 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 异氰酸酯 |
| 其他上位类（Alternative Parents） | 炔丙基型1,3-偶极有机化合物 有机光子化合物 有机氧化合物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族同单环化合物 |
| 取代基（Substituents） | 脂肪族同单环化合物 - 烃衍生物 - 异氰酸酯 - 有机1,3-双极性化合物 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 - 有机氮化合物 - 丙炔型1,3-双极性有机化合物 |
| 描述（Description） | 该化合物属于异氰酸酯类有机化合物。这类化合物含有氰酸（HOC#N）的异氰酸酯互变异构体HN=C=O，或其烃基衍生物RN=C=O。 |
| 外部描述符（External Descriptors） | diisocyanate |
三维结构
交互式化学结构模型
关联靶点（人）
AR
Tclin
Androgen Receptor
(11781 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
可溶于水；可溶于丙酮
密度
1.07
敏感性
对湿度敏感；对热敏感
折光率
1.5
沸点
168 °C/1.5 mmHg
分子量
262.350 g/mol
XLogP3
5.300
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
4
可旋转键计数Rotatable Bond Count
4
精确质量Exact Mass
262.168 Da
单同位素质量Monoisotopic Mass
262.168 Da
拓扑极表面积Topological Polar Surface Area
58.900 Ų
重原子数Heavy Atom Count
19
形式电荷Formal Charge
0
复杂度Complexity
332.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
信号词
危险
危险声明
H315: 引起皮肤刺激
H317: 可能引起皮肤过敏反应
H319: 引起严重眼睛刺激
H330: 吸入致命
H334: 吸入可能引起过敏或哮喘病症状或呼吸困难
H335: 可能引起呼吸道刺激
H370: 对器官造成损害
H410: 对水生生物有剧毒并具有长期持续影响
预防措施声明
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P264: 处理后要彻底洗手。
P271: 仅在室外或通风良好的地方使用。
P272: 被污染的工作服不允许离开工作场所
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P284: 如果通风不良，请佩戴呼吸防护装置。
P321: 特殊处理（请参阅此标签上的...）。
P302+P352: 如皮肤沾染：用水充分清洗。
P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
P333+P313: 如发生皮肤刺激或皮疹：求医/就诊。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P501: 将内容物/容器处理到。。。
P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。
P337+P317: 如果眼睛刺激持续：寻求医疗帮助。
P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。
P316: 立即寻求紧急医疗救助。
P319: 如果你感到不适，请寻求医疗帮助。
P342+P316: 如果出现呼吸道症状：立即寻求急救。
RTECS
NQ9250000
Class
6.1
质检证书（CoA,COO,BSE/TSE 和分析图谱)
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此产品的引用文献
引用文献
| 1. Hao Jiang, Wuting Pang, Meng Cheng, Tong Yan, Zhikun Wang, Zhihao Zhao, Chunling Li, Shuangqing Sun, Songqing Hu. (2023) Construction and mechanism of phase-locked structured PU elastomers with tunable mechanical and self-healing properties. APPLIED SURFACE SCIENCE, [10.1016/j.apsusc.2023.159136] |
| 2. Di Zhao, Chunmei Yue, Qianrui Li, Lei Guo, Jing Yang, Huanrong Li. (2023) Self-Healing Luminescent Elastomers with Ultrahigh Mechanical Strength, Superior Toughness, and Stimuli-Responsive Luminescence. ACS Applied Polymer Materials, [10.1021/acsapm.3c01837] |
| 3. Changyuan Song, Yin Jin. (2023) Distribution-according-to-work: Enhancing solar vapor generation of photothermal sponge by using cellulose-based water storage platform. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:37717868] [10.1016/j.ijbiomac.2023.126830] |
| 4. Jingcheng Liu, Jun Hu, Jian Li, Yue Zhang, Xiaojie Li. (2023) Preparation of UV-curable strippable coatings based on polyurethane acrylate from CO2-polyol and different isocyanates. PROGRESS IN ORGANIC COATINGS, [10.1016/j.porgcoat.2023.107865] |
| 5. Yujia Hao, Guangming Zhu, Ben Li. (2023) Mechanically Robust and Self-Healable Polyureas Based on Multiple Dynamic Bonds. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [10.1021/acs.iecr.3c00693] |
| 6. Zheng Yuan, Jun Yan, Feng Gao, Jue Cheng, Junying Zhang. (2023) High-performance, fluorescent, UV-shielding, triboelectric, super-flexible polyurea elastomers via strong π–π stacking of pyrene and hydrogen bonding strategies. Journal of Materials Chemistry C, 11 (26): (8971-8981). [10.1039/D3TC00963G] |
| 7. Xin-Yi Zhang, Kai-Li Tian, Jie Liu, Wittaya Ngeontae, Ai-Juan Zhao, Maxim V. Bermeshev, Shi-Qing Wong, Kaspars Traskovskis, Zhijian Chen, Xiang-Kui Ren. (2023) Perylene Diimide Incorporated Polyurethane Polymer as Potential Colour Filter Material with Non-fluorescent Property†. CHINESE JOURNAL OF CHEMISTRY, 41 (11): (1348-1354). [10.1002/cjoc.202200760] |
| 8. Lulu Xiong, Delong Li, Yongfei Yang, Xiaoxiao Ye, Yu Huang, E. Xu, Chuanhui Xia, Mingbo Yang, Zhengying Liu, Xudong Cui, Feng Wang, Yanhao Huang. (2023) Tailoring crosslinking networks to fabricate photocurable polyurethane acrylate (PUA) dielectric elastomer with balanced electromechanical performance. REACTIVE & FUNCTIONAL POLYMERS, [10.1016/j.reactfunctpolym.2023.105498] |
| 9. Gang Tang, Dongli Wang, Chunyan Chen, Yunjun Luo, Xiaoyu Li. (2022) High Performance Thermoplastic Energetic Composites Using Fluorinated Energetic Polyurethanes as Binder. PROPELLANTS EXPLOSIVES PYROTECHNICS, 48 (3): (e202200249). [10.1002/prep.202200249] |
| 10. S.J. Ding, G.C. Zhu, S. Zhao, L. Zhou, Y.J. Luo. (2022) Enhanced self-healing driving force in polymer materials by regulating molecular structure. Materials Today Chemistry, [10.1016/j.mtchem.2022.101278] |
| 11. Changyuan Song, Yin Jin, Xiangyi Gu, Jianwei Shi. (2022) A solar-driven self-repairing sponge for efficient recovery of crude oil. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [10.1016/j.colsurfa.2022.130692] |
| 12. Xiaobo Zhu, Wujun Zhang, Guangming Lu, Haichao Zhao, Liping Wang. (2022) Ultrahigh Mechanical Strength and Robust Room-Temperature Self-Healing Properties of a Polyurethane–Graphene Oxide Network Resulting from Multiple Dynamic Bonds. ACS Nano, [PMID:36215403] [10.1021/acsnano.2c06264] |
| 13. Changyuan Song, Muhammad Sultan Irshad, Yin Jin, Junhua Hu, Wentao Liu. (2022) Arabic-dome-inspired hierarchical design for stable and high-efficiency solar-driven seawater desalination. DESALINATION, [10.1016/j.desal.2022.116125] |
| 14. Yinglu Sun, Xinxin Tian, Haopu Xie, Biru Shi, Jiahui Zhong, Xiangdong Liu, Yuming Yang. (2022) Reprocessable and degradable bio-based polyurethane by molecular design engineering with extraordinary mechanical properties for recycling carbon fiber. POLYMER, [10.1016/j.polymer.2022.125313] |
| 15. Gang Tang, He Wang, Chunyan Chen, Yabei Xu, Dongping Chen, Dongli Wang, Yunjun Luo, Xiaoyu Li. (2022) Thermal decomposition of nano Al-based energetic composites with fluorinated energetic polyurethane binders: experimental and theoretical understandings for enhanced combustion and energetic performance. RSC Advances, 12 (37): (24163-24171). [PMID:36128536] [10.1039/D2RA03781E] |
| 16. Qingyuan Zeng, Shujing Xue, Jianping Li, Wenhui Jiang, Yongbo Ding, Liang Shen. (2022) Preparation of bio-based air-drying water-borne polyurea coatings with excellent coating properties and anticorrosive performance. PROGRESS IN ORGANIC COATINGS, [10.1016/j.porgcoat.2022.107040] |
| 17. Gang Tang, Dongli Wang, Yunjun Luo, Xiaoyu Li. (2022) Novel azide-rich fluorinated energetic polyurethane with excellent mechanical properties by a one-pot facile strategy. EUROPEAN POLYMER JOURNAL, [10.1016/j.eurpolymj.2022.111428] |
| 18. Xueqi Wu, Maochen Liu, Jiang Zhong, Yuting Zhong, Jinchuang Rong, Fei Gao, Yongluo Qiao, Liang Shen, Haifeng He. (2022) Self-healing dynamic bond-based robust polyurethane acrylate hybrid polymers. NEW JOURNAL OF CHEMISTRY, 46 (28): (13415-13421). [10.1039/D2NJ01439D] |
| 19. Li Yan Mei, Zhang Ze Ping, Rong Min Zhi, Zhang Ming Qiu. (2022) Tailored modular assembly derived self-healing polythioureas with largely tunable properties covering plastics, elastomers and fibers. Nature Communications, 13 (1): (1-10). [PMID:35551199] [10.1038/s41467-022-30364-x] |
| 20. Jing Yan, Xuezhuang Li, Xue Zhang, Shuang Liu, Fenglin Zhong, Junping Zhang, Qiuyu Zhang, Yi Yan. (2022) Metallo-Polyelectrolyte-Based Waterborne Polyurethanes as Robust HCl Corrosion Inhibitor Mediated by Inter/intramolecular Hydrogen Bond. ACS Applied Polymer Materials, [10.1021/acsapm.2c00306] |
| 21. Wang Lu-Ping, Zhang Ming-Guang, Hao Jing-Cheng, Wang Xu. (2022) Insertion of Supramolecular Segments into Covalently Crosslinked Polyurethane Networks towards the Fabrication of Recyclable Elastomers. CHINESE JOURNAL OF POLYMER SCIENCE, 40 (3): (321-330). [10.1007/s10118-022-2651-2] |
| 22. Jingjing Bai, Jingjing Cui, Yidan Ma, Wenhao Zhao, Yulong Wang, Zhenzhong Li. (2021) Orange emissive N-doped carbon dots and their application in detection of water in organic solvents and the polyurethane composites. OPTICAL MATERIALS, [10.1016/j.optmat.2021.111927] |
| 23. Shanjun Ding, Zhu Wang, Guocui Zhu, Ximing Zhang, Jun Zhang, Yanjie Zhang, Zhuoqi Cen, Lin Zhou, Yunjun Luo. (2021) Accelerating Self-Healing Driven by Surface Energy Using Bulky Ester Groups in Polymer Materials. Journal of Physical Chemistry C, [10.1021/acs.jpcc.1c07182] |
| 24. Jun Xu, Tiantian Hao, Changlin Liu, Jingjing Bi, Jing Sun, Zheng Wen, Zhaosheng Hou, Jinjian Wei. (2021) pH-Responsive and degradable polyurethane film with good tensile properties for drug delivery in vitro. Materials Today Communications, [10.1016/j.mtcomm.2021.102969] |
| 25. Yinglu Sun, Dekun Sheng, Haohao Wu, Xinxin Tian, Haopu Xie, Biru Shi, Xiangdong Liu, Yuming Yang. (2021) Bio-based vitrimer-like polyurethane based on dynamic imine bond with high-strength, reprocessability, rapid-degradability and antibacterial ability. POLYMER, [10.1016/j.polymer.2021.124208] |
| 26. Xing-Ya Liu, Rui-Yang Xie, Tao Chen, Lei He, Ting Wang, Wang Liao, Zhi-Guo Liu, Ming-Jun Chen. (2021) Improvement of polyurethane film strength by H-bonding crosslinking with hydroxylated melamine. JOURNAL OF APPLIED POLYMER SCIENCE, 138 (47): (51411). [10.1002/app.51411] |
| 27. Shanjun Ding, Jun Zhang, Guocui Zhu, Xin Ren, Lin Zhou, Yunjun Luo. (2021) Rationally Constructed Surface Energy and Dynamic Hard Domains Balance Mechanical Strength and Self-Healing Efficiency of Energetic Linear Polymer Materials. LANGMUIR, [PMID:34279105] [10.1021/acs.langmuir.1c00939] |
| 28. Haohao Wu, Haopu Xie, Xinxin Tian, Yinglu Sun, Biru Shi, Yan Zhou, Dekun Sheng, Xiangdong Liu, Yuming Yang. (2021) Hard, tough and fast self-healing thermoplastic polyurethane. PROGRESS IN ORGANIC COATINGS, [10.1016/j.porgcoat.2021.106409] |
| 29. Yaofang Hu, Gang Tang, Yunjun Luo, Shumeng Chi, Xiaoyu Li. (2021) Glycidyl azide polymer-based polyurethane vitrimers with disulfide chain extenders. Polymer Chemistry, 12 (28): (4072-4082). [10.1039/D1PY00441G] |
| 30. Haohao Wu, Xiangdong Liu, Dekun Sheng, Yan Zhou, Shaobin Xu, Haopu Xie, Xinxin Tian, Yinglu Sun, Biru Shi, Yuming Yang. (2020) High performance and near body temperature induced self-healing thermoplastic polyurethane based on dynamic disulfide and hydrogen bonds. POLYMER, [10.1016/j.polymer.2020.123261] |
| 31. Yizi Chen, Dongwei Xu, Hongfang Qiu, Ping Chen. (2020) Improvement of the interfacial properties of PBO/Epoxy composites by online continuous plasma grafting with polyurethane. PROGRESS IN ORGANIC COATINGS, [10.1016/j.porgcoat.2020.105610] |
| 32. Jingjing Bai, Weijie Ren, Yulong Wang, Xiaoxia Li, Cheng Zhang, Zhenzhong Li, Zhongyuan Xie. (2020) High-performance thermoplastic polyurethane elastomer/carbon dots bulk nanocomposites with strong luminescence. HIGH PERFORMANCE POLYMERS, [10.1177/0954008320907123] |
| 33. Maochen Liu, Jiang Zhong, Zijian Li, Jinchuang Rong, Kun Yang, Jiyong Zhou, Liang Shen, Fei Gao, Xuelong Huang, Haifeng He. (2020) A high stiffness and self-healable polyurethane based on disulfide bonds and hydrogen bonding. EUROPEAN POLYMER JOURNAL, [10.1016/j.eurpolymj.2020.109475] |
| 34. Yanpeng Cao, Rui Yan, Xiaoye Wo, Jinlong Ma, Xiao Yu, Aijun Li, Jian Huang, Fenghua Li, Qixian Zhang. (2024) A self-healing elastomer with outstanding mechanical properties was designed based on urea bonds. Journal of Materials Chemistry C, 12 (26): (9685-9692). [10.1039/D4TC01123F] |
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