1-Iodohexane (stabilized with Copper chip) - ≥97%(GC) , CAS No.638-45-9

CAS: 638-45-9 Cat. No.: I157578 Molecular Weight: 212.07 Beilstein Registry Number: 505971 EC Number: 211-339-0

GRADE & PURITY ≥97%(GC)

Synonyms

DTXCID2029298 | Tox21_202862 | NCGC00260408-01 | n-hexyliodide | 1-IODOHEXANE | DTXSID2049341 | Hexyl iodide | VS-02954 | AKOS000119807 | ANOOTOPTCJRUPK-UHFFFAOYSA- | Hexane,1-iodo- | 1-Iodohexane, contains copper as stabilizer, >=98% | 1-iodo-n-hexane |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXCID2029298 | Tox21_202862 | NCGC00260408-01 | n-hexyliodide | 1-IODOHEXANE | DTXSID2049341 | Hexyl iodide | VS-02954 | AKOS000119807 | ANOOTOPTCJRUPK-UHFFFAOYSA- | Hexane, 1-iodo- | 1-Iodohexane, contains copper as stabilizer, >=98% | 1-iodo-n-hexane |

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504752361
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752361
• Canonical Smiles: CCCCCCI
• IUPAC Name: 1-iodohexane
• InChIKey: ANOOTOPTCJRUPK-UHFFFAOYSA-N
• INCHI: 1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
• Isomeric SMILES: CCCCCCI
• WGK Germany: 2
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 212.07
• Beilstein: 505971
• Reaxy-Rn: 505971
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine 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;air sensitive
• Refractive Index: 1.49
• Flash Point(°F): 141.8 °F
• Flash Point(°C): 61 °C
• Boil Point(°C): 180 °C
• Molecular Weight: 212.070 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 212.006 Da
• Monoisotopic Mass: 212.006 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• 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. Jun Zhang, Rongye Guo, Yubing Li, Hanyu Ma, Junkun Tang, Zuozhen Liu, Farong Huang.  (2023)  Effect of halogenated hydrocarbon crosslinkers on self-healing poly(1,2,3-triazolium) adhesives.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.126192]

2. Shusu Ren, Xiang Xu, Jiyuan Sun, Haitao Zhao, Weiwei He, Lifen Zhang, Zhenping Cheng.  (2023)  Cationic porphyrin-based star-shaped polymers with photo-enhanced antibacterial activity by BIT-RDRP.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112232]

3. Mengmeng Xu, Guoying Zhao, Latif Ullah, Han Liu, Qilu Hu, Lina Jia, Ying Liu, Zhichang Liu, Haiyan Liu.  (2024)  Fast and sustainable CO2 conversion to propylene carbonate using fluoroalcohol-based bifunctional ionic liquids: Insights from experiments and theoretical simulations.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2024.102739]

4. Chaoyue Yang, Li Zhou, Qian Zhang, Ya Huang, Peixiao Zhang, Jingwen Xue, Qing Li, Weijie Sun, Jiayou Liao.  (2025)  Fabrication of Microphase-Separated Tröger’s Base Polymer Membranes for Oxygen Enrichment.  Membranes,  16  (1): (9).  [PMID:41590562] [10.3390/membranes16010009]