4,5-Dicyanoimidazole(DCI) - ≥99% , CAS No.1122-28-7

CAS: 1122-28-7 Cat. No.: D109320 Molecular Weight: 118.1 Beilstein Registry Number: 118208 EC Number: 214-344-6

GRADE & PURITY ≥99%

Synonyms

DCI | SCHEMBL20204 | 4,5-Dicyanoimidazole | DTXSID00149943 | HY-W001962 | AMY23389 | F3308-1854 | UNII-AZ5X73C3CC | 1H-imidazol-4,5-dikohlenitrile | D2026 | 4,5-DICYANOIMIDAZOLE in anhydrous acetonitril | 4,5-Dicyanoimidazole, 95% | AC-3058 | Nickel(II) i

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

4,5-Dicyanoimidazole (DCI) participates as an activator in the synthesis of oligonucleotides.

application：

4,5-Dicyanoimidazole may be used to synthesize:

5′-O-(4,4′-dimethoxytrityl)-2′-deoxythymidine 3′-O-(2-cyanoethyl N,N-diisopropylphosphoramidite)

4,5-di(amidoximyl)imidazole [4,5-(DAO)Im]

1-(4-methoxybenzyl)-4,5-dicyanoimidazole

novel imidazo[4 5-e][1 3]diazepine analog

N-benzyl-4,5-dicyanoimidazole]

Specifications

Synonyms

DCI | SCHEMBL20204 | 4, 5-Dicyanoimidazole | DTXSID00149943 | HY-W001962 | AMY23389 | F3308-1854 | UNII-AZ5X73C3CC | 1H-imidazol-4, 5-dikohlenitrile | D2026 | 4, 5-DICYANOIMIDAZOLE in anhydrous acetonitril | 4, 5-Dicyanoimidazole, 95% | AC-3058 | Nickel(II) i

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504754563
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754563
• Canonical Smiles: C1=NC(=C(N1)C#N)C#N
• IUPAC Name: 1H-imidazole-4,5-dicarbonitrile
• InChIKey: XGDRLCRGKUCBQL-UHFFFAOYSA-N
• INCHI: 1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)
• Isomeric SMILES: C1=NC(=C(N1)C#N)C#N
• WGK Germany: 3
• Molecular Weight: 118.1
• Beilstein: 118208
• Reaxy-Rn: 118208
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118208&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 Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Nitrile - Carbonitrile - 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

Chemical and Physical Properties

• Solubility: Soluble in Acetonitrile: 1.8g/10ml,
• Melt Point(°C): 168-175°C
• Molecular Weight: 118.100 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 118.028 Da
• Monoisotopic Mass: 118.028 Da
• Topological Polar Surface Area: 76.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 191.000
• 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. Zijun Ding, Xiaoying Gao, Yanmei Yang, Hua Wei, Shenghong Yang, Jian Liu.  (2023)  Amorphous copper(II)-cyanoimidazole frameworks as peroxidase mimics for hydrogen sulfide assay.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37690296] [10.1016/j.jcis.2023.09.014]

2. Gaopeng Liu, Keke Wang, Lin Wang, Bin Wang, Zixia Lin, Xin Chen, Yingjie Hua, Wenshuai Zhu, Huaming Li, Jiexiang Xia.  (2020)  A Janus cobalt nanoparticles and molybdenum carbide decorated N-doped carbon for high-performance overall water splitting.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:33039860] [10.1016/j.jcis.2020.09.007]

3. Dan Li, Yong Kang, Jie Li, Zongchi Wang, Zhinan Yan, Kai Sheng.  (2020)  Chemically tunable DILs: Physical properties and highly efficient capture of low-concentration SO2.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2020.116572]

4. Guangli Yu, Ziyang Wang, Junchao Dong, Fei Ni, Dandan Song, Terence Xiaoteng Liu, Zhanhui Yuan, Kangjun Wang, Xiaoqin Zou.  (2025)  A zeolitic imidazolate framework with uncoordinated cyano groups in mixed matrix membranes for efficient propylene/propane separation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159352]

5. Hua Wei, Jian Liu, Xin Wang, Zihan Li, Lijuan Ju, Boxuan Yao, Jiarui Zhou, Lei Zhao, Mingyang Zhou, Jie Zhang, Shenghong Yang.  (2023)  Secondary metal doped cuprous-cyanoimidazole frameworks for triple-mode detection of dopamine.  ANALYTICA CHIMICA ACTA,      [PMID:37827638] [10.1016/j.aca.2023.341798]