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

CAS: 638-45-9 Cat. No.: I157578 Peso molecular: 212.07 Beilstein Registry Number: 505971 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504752361
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752361
• Sonrisas canónicas: CCCCCCI
• IUPAC Name: 1-iodohexane
• InChIKey: ANOOTOPTCJRUPK-UHFFFAOYSA-N
• INCHI: 1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
• Isómeros SMILES: CCCCCCI
• WGK Alemania: 2
• Número ONU: 3082
• Grupo de embalaje: III
• Peso molecular: 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
    • Clase Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive;air sensitive
• Índice de refracción: 1.49
• Punto de inflamación (°F): 141.8 °F
• Punto de inflamación (°C): 61 °C
• Punto de ebullición (°C): 180 °C
• Peso molecular: 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

Referencias

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]