2-Ethylimidazole - ≥98% , CAS No.1072-62-4

CAS: 1072-62-4 Cat. No.: E137989 Molecular Weight: 96.13 Beilstein Registry Number: 106381 EC Number: 214-011-5

GRADE & PURITY ≥98%

Synonyms

MFCD00005192 | BDBM181136 | R8FS8HV4RL | D77759 | 2-ethyl imidazole | Imidazole, 2-ethyl- | EN300-53983 | 1H-Imidazole, 2-ethyl- | AC-8726 | Q-200278 | STR05623 | FT-0633293 | US9138393, 2-Ethylimidazole | Z803154382 | DTXSID5061457 | 2-ethylimdazole | 2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD00005192 | BDBM181136 | R8FS8HV4RL | D77759 | 2-ethyl imidazole | Imidazole, 2-ethyl- | EN300-53983 | 1H-Imidazole, 2-ethyl- | AC-8726 | Q-200278 | STR05623 | FT-0633293 | US9138393, 2-Ethylimidazole | Z803154382 | DTXSID5061457 | 2-ethylimdazole | 2-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC1=NC=CN1
• IUPAC Name: 2-ethyl-1H-imidazole
• InChIKey: PQAMFDRRWURCFQ-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
• Isomeric SMILES: CCC1=NC=CN1
• WGK Germany: 3
• Molecular Weight: 96.13
• Beilstein: 106381
• Reaxy-Rn: 106381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (617 g/L at 20°C)
• Sensitivity: heat sensitive,Moisture sensitive,air sensitive
• Flash Point(°F): 318.2 °F
• Flash Point(°C): 159 °C
• Boil Point(°C): 268°C
• Melt Point(°C): 78-86°C
• Molecular Weight: 96.130 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.0687 Da
• Monoisotopic Mass: 96.0687 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xing Tian, Jie Hu, Xin Sun, Yongxin Duan, Min Jiang.  (2023)  Novel application of Zn-containing Zeolitic Imidazolate Frameworks in promoting the vulcanization and mechanical properties of natural rubber composites.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (33): (e54294).  [PMID:] [10.1002/app.54294]

2. Yang Lei, Liu Zenghe, Neisiany Rasoul Esmaeely, Lou Jiaming, Guo Yifan, Zhang Luzhi, Liu Huijie, Chen Shuo, Gu Shijia, You Zhengwei.  (2023)  A topological polymer network with Cu(II)-coordinated reversible imidazole-urea locked unit constructs an ultra-strong self-healing elastomer.  Science China-Chemistry,  66  (3): (853-862).  [PMID:] [10.1007/s11426-022-1437-5]

3. Hao Yu, Minghao Dou, Shuang Wang, Yuye Cheng, Zhiqiang Li, Hongyu Shao, Mengjie Yao, Xinrui Wang, Yanyan Chen, Shenjie Li.  (2022)  ZIF-8-Supported AgInS2 Quantum Dots for Photocatalytic H2 Production by Precise Location Sulfurization.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.2c04276]

4. Wan Xiaodong, Liu Jianben, Chen Xi, Wang Jun.  (2021)  Study on tri-imidazole derivatives modified with triazine-trione structure as latent curing agents for epoxy resin.  SN Applied Sciences,  4  (1): (1-12).  [PMID:] [10.1007/s42452-021-04905-w]

5. Yi Sun, Xuanzhe Liu, Yu Zhu, Yue Han, Junjie Shen, Bingbo Bao, Tao Gao, Junqing Lin, Tengli Huang, Jia Xu, Yimin Chai, Xianyou Zheng.  (2021)  Tunable and Controlled Release of Cobalt Ions from Metal–Organic Framework Hydrogel Nanocomposites Enhances Bone Regeneration.  ACS Applied Materials & Interfaces,      [PMID:34846853] [10.1021/acsami.1c16300]

6. Rehan Khan, Ihtisham Ul Haq, Heng Mao, Ao-Shuai Zhang, Li-Hao Xu, Hong-Gang Zhen, Zhi-Ping Zhao.  (2020)  Enhancing the pervaporation performance of PEBA/PVDF membrane by incorporating MAF-6 for the separation of phenol from its aqueous solution.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2020.117804]

7. Minjie Gao, Yucui Hou, Qi Zhang, Ying Sun, Shuhang Ren, Weize Wu.  (2020)  Absorption of SO2 in Simulated Flue Gas by Functional Deep Eutectic Solvents Based on Imidazole and H2O with High Mass Capacities.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.0c00057]

8. Longfeng Sun, Shuxi Gao, Xuefeng Gui, Lingli Liu, Kai Xu, Huan Liu.  (2019)  Renewable sulfur- and monoterpenes-derived polysulfides as functional crosslinker for epoxy thermosets.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2019.109440]

9. Hui Zhang, Yaoguang Xu, Yuqi Li, Zexiang Lu, Shilin Cao, Mizi Fan, Liulian Huang, Lihui Chen.  (2017)  Facile Cellulose Dissolution and Characterization in the Newly Synthesized 1,3-Diallyl-2-ethylimidazolium Acetate Ionic Liquid.  Polymers,  9  (10): (526).  [PMID:30965828] [10.3390/polym9100526]

10. Xueqi Sun, Shaojuan Zeng, Kuilin Peng, Wei Liu, Lu Bai, Yanchi Jiang, Tao Wang, Xiangping Zhang.  (2024)  A Water-Lean Triazole Ionic Liquid Biphasic Solvent for Energy-Efficient CO2 Capture Through Reversible Polarity and Intermolecular Hydrogen Bonding.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c00636]

11. Yuanhang Jin, Yu Xie, Haipeng Zhu, Jiangpu Nan, Fenjuan Xiangli, Gongping Liu, Wanqin Jin.  (2024)  Fabrication of novel mixed-matrix membrane and its pervaporation process integration with distillation for energy-saving separation of DMC/methanol azeotropic mixture.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.123520]

12. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu.  (2025)  Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources.  TALANTA,      [PMID:40157196] [10.1016/j.talanta.2025.127975]

13. Yu Xie, Wangyang Wang, Jiale Cui, Hui Li, Kang Cheng, Qinghong Zhang, Ye Wang.  (2024)  K2SO4-promoted TiO2 for the efficient oxidative coupling of methane.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2024.120119]

14. Ruofan Wang, Yanfu Yan, Wenjun Li, Zhiming Li.  (2025)  Preparation of Sn42Bi58 and Sn64.7Bi35Ag0.3 soldering pastes for Cu–Al direct soldering and study of their performance.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2025.130547]

15. Ming Jiang, Xintong Zhang, Mi Feng, Shijie Wang, Zhencai Zhang, Xiangping Zhang, Xingmei Lu, Fei Xu.  (2024)  Tunable protic ionic liquid catalysts for the efficient one-step synthesis of isosorbide-based polycarbonates.  Carbon Capture Science & Technology,      [PMID:] [10.1016/j.ccst.2024.100281]

16. Siqi Qiu, Hao Wan, Yuechao Yao, Xiao Xu, Zhangjian Li, Yongbiao Mu, Biaolin Peng, Hongliang Wu, Jizhao Zou, Lin Zeng.  (2025)  Atomically Dispersed Zr-N Moieties Modulate Fe Coordination for Robust Oxygen Reduction Electrocatalysis.  Advanced Science,      [PMID:41020700] [10.1002/advs.202512381]

17. Pengxiao Guo, Rongqi Wang, Yadong Zhou, Chaochuang Yin, Yizhu Lei, Yinyan Wang, Kang Chen, Li Sun, Ziao Zong, Hu Wang.  (2025)  A multifaceted study of three Cu(II) Schiff base complexes as urease inhibitors: Derived from experimental and computational approaches.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2025.122986]