1,3-Diiodopropane - ≥98%, stabilized with copper , CAS No.627-31-6

CAS: 627-31-6 Cat. No.: D139104 Molecular Weight: 295.89 Beilstein Registry Number: 1731117 EC Number: 210-993-4

GRADE & PURITY ≥98%, stabilized with copper

Synonyms

J-802014 | AKOS015913313 | FT-0606671 | 4-01-00-00228 (Beilstein Handbook Reference) | PROPANE, 1,3-DIIODO- | MFCD00001097 | NSC 35647 | SY045006 | 1,3-Diiodopropane, 99%, contains copper as stabilizer | A833960 | UNII-K9QFA94XGY | 1,3-Diiodopropane(stabi

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

The adsorption of 1,3-diiodopropane on a molybdenum-aluminum alloy thin film formed on dehydroxylated alumina has been studied
1,3-Diiodopropane has been used in the preparation of synthetically challenging bridged 1,2,4,5-tetraoxanes

Specifications

Synonyms

J-802014 | AKOS015913313 | FT-0606671 | 4-01-00-00228 (Beilstein Handbook Reference) | PROPANE, 1, 3-DIIODO- | MFCD00001097 | NSC 35647 | SY045006 | 1, 3-Diiodopropane, 99%, contains copper as stabilizer | A833960 | UNII-K9QFA94XGY | 1, 3-Diiodopropane(stabi

Specifications & Purity

≥98%, stabilized with copper

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752304
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752304
• Canonical Smiles: C(CI)CI
• IUPAC Name: 1,3-diiodopropane
• InChIKey: AAAXMNYUNVCMCJ-UHFFFAOYSA-N
• INCHI: 1S/C3H6I2/c4-2-1-3-5/h1-3H2
• Isomeric SMILES: C(CI)CI
• WGK Germany: 3
• RTECS: TY1080000
• Molecular Weight: 295.89
• Beilstein: 1731117
• Reaxy-Rn: 1731117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731117&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

• Solubility: Insoluble in water.
• Sensitivity: heat sensitive；Light sensitive
• Refractive Index: 1.6415
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 224℃
• Melt Point(°C): -20℃
• Molecular Weight: 295.890 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 295.856 Da
• Monoisotopic Mass: 295.856 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• 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. Xiaoxuan Guo, Fenglei Zhang, Yaseen Muhammad, Zhixiu Yang, Ruiping Wei, Lijing Gao, Guomin Xiao.  (2023)  Amino-functionalized organic polymer loaded with highly dispersed CuI for efficient catalytic conversion of CO2 with PA.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2023.112507]