Iodocyclohexane (stabilized with Copper chip) - ≥98%(GC) , CAS No.626-62-0

CAS: 626-62-0 Cat. No.: I157579 Molecular Weight: 210.06 Beilstein Registry Number: 1900800 EC Number: 210-957-8

GRADE & PURITY ≥98%(GC)

Synonyms

F20359 | F2190-0186 | J-802178 | Cyclohexane, iodo- | SCHEMBL73820 | SY049425 | InChI=1/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H | J-802225 | NSC 6075 | IODOCYCLOHEXANE | iodo-cyclohexane | Iodocyclohexane stabilized over Cu | MFCD00003826 | STL183316 | FT-062726

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Iodocyclohexane has been employed as reagent in demethylation of aryl methyl ethers in DMF under reflux condition

Specifications

Synonyms

F20359 | F2190-0186 | J-802178 | Cyclohexane, iodo- | SCHEMBL73820 | SY049425 | InChI=1/C6H11I/c7-6-4-2-1-3-5-6/h6H, 1-5H | J-802225 | NSC 6075 | IODOCYCLOHEXANE | iodo-cyclohexane | Iodocyclohexane stabilized over Cu | MFCD00003826 | STL183316 | FT-062726

Specifications & Purity

≥98%(GC)

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

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181609
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181609
• Canonical Smiles: C1CCC(CC1)I
• IUPAC Name: iodocyclohexane
• InChIKey: FUCOMWZKWIEKRK-UHFFFAOYSA-N
• INCHI: 1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
• Isomeric SMILES: C1CCC(CC1)I
• WGK Germany: 3
• Molecular Weight: 210.06
• Beilstein: 1900800
• Reaxy-Rn: 1900797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organoiodide - Alkyl iodide - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• 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

• Sensitivity: light sensitive
• Refractive Index: 1.55
• Flash Point(°F): 158 °F
• Flash Point(°C): 72℃
• Boil Point(°C): 180℃
• Molecular Weight: 210.060 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 209.991 Da
• Monoisotopic Mass: 209.991 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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. Ying Wu, Jie Gao, Jian-Hui Li, Bo-Kun Chen.  (2023)  Construction of photo-responsive lignin as a broad-spectrum sunscreen agent.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37806425] [10.1016/j.ijbiomac.2023.127289]

2. Ying Wu, Yong Qian, Hongming Lou, Dongjie Yang, Xueqing Qiu.  (2019)  Enhancing the Broad-Spectrum Adsorption of Lignin through Methoxyl Activation, Grafting Modification, and Reverse Self-Assembly.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.9b02317]

3. Qiao Yuan, Yating Gu, Siquan Feng, Xiangen Song, Jiali Mu, Bin Li, Xingju Li, Yutong Cai, Miao Jiang, Li Yan, Jingwei Li, Zheng Jiang, Yingxu Wei, Yunjie Ding.  (2022)  Sulfur-Promoted Hydrocarboxylation of Olefins on Heterogeneous Single-Rh-Site Catalysts.  ACS Catalysis,      [PMID:] [10.1021/acscatal.1c06039]

4. Yang Li, Ying Wang, Longbo Zhang, Yanru Zhang, Jia Guo, Yanyan Wang, Chenglong Yu, Jun He, Zhenpeng Wang, Juanjuan Han, Qian Li, Tianbin Wu, Qingli Qian, Buxing Han.  (2025)  Iridium-Catalyzed Hydrocarboxylation of Olefins with CO2 and H2.  MOLECULES,  30  (7): (1599).  [PMID:40286201] [10.3390/molecules30071599]