Iodine trichloride - AR, ≥97% , CAS No.865-44-1

CAS: 865-44-1 Cat. No.: I112541 Molecular Weight: 233.26 EC Number: 212-739-8

GRADE & PURITY AR, ≥97%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads,FedEx DG Service

Overview

Product Application:

Iodine trichloride can be used to introduce iodine and chlorine in organic synthesis. It is also used as topical antiseptic and as laboratory reagent.

Specifications

Specifications & Purity

AR, ≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads, FedEx DG Service

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

Grade

AR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: ClI(Cl)Cl
• IUPAC Name: trichloro-λ3-iodane
• InChIKey: PAWIVBWALDNUJP-UHFFFAOYSA-N
• INCHI: 1S/Cl3I/c1-4(2)3
• Isomeric SMILES: ClI(Cl)Cl
• WGK Germany: 3
• UN Number: 3260
• Packing Group: II
• Molecular Weight: 233.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Homogeneous halogens

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Homogeneous halogens
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Homogeneous halogens
• Alternative Parents: Inorganic chloride salts
• Molecular Framework: Not available
• Substituents: Homogeneous halogen - Inorganic chloride salt - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
• 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 with decomposition
• Sensitivity: Light Sensitive；Air sensitive；Moisture sensitive
• Boil Point(°C): 77°C
• Melt Point(°C): 33°C
• Molecular Weight: 233.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 231.811 Da
• Monoisotopic Mass: 231.811 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 8.000
• 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. Pei Li, Xinliang Li, Ying Guo, Ao Chen, Rong Zhang, Yue Hou, Qi Xiong, Yanbo Wang, Ze Chen, Jiaxiong Zhu, Minshen Zhu, Chunyi Zhi.  (2023)  Development of an energy-dense and high-power Li-Cl2 battery using reversible interhalogen bonds.  Chem,      [PMID:] [10.1016/j.chempr.2023.09.021]

2. Lin Gu, Yuan Gao, Wenxin Li, Jianing Liu, Danyang Wang, Yongjie Chi, Jing Zhang, Qingyan Gai, Habiba Nazir, Qingye Jia, Huimei Wang, Lianyan Wang.  (2025)  Investigation of Novel Strategies to Improve the Storage Stability and the Antimicrobial Activity of Ozonized Sunflower Oil.  Journal of Oleo Science,      [PMID:40603075] [10.5650/jos.ess24281]