1,8-Diiodooctane(DIO) - ≥96% , CAS No.24772-63-2

CAS: 24772-63-2 Cat. No.: D473785 Molecular Weight: 366.02 Beilstein Registry Number: 1735440 EC Number: 246-456-6

GRADE & PURITY ≥96%

Synonyms

SY048299 | 1,8-Diiodooctane , stabilized with Copper | 1,8-bis(iodanyl)octane | F19540 | J-015668 | Octane,1,8-diiodo- | FT-0607049 | DTXSID8067020 | A817488 | D2158 | MFCD00001106 | EINECS 246-456-6 | 1,8-Diiodooctane, stabilized with copper | SCHEMBL630

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Overview

Description

1,8-Diiodooctane has been employed as processing additive:to improve the morphology and the efficiency of bulk heterojunctions solar cells, based on the regioregular poly(3-hexylthiophene) and a soluble fullerene derivativeto improve the power conversion efficiency of polymer solar cells

Specifications

Synonyms

SY048299 | 1, 8-Diiodooctane , stabilized with Copper | 1, 8-bis(iodanyl)octane | F19540 | J-015668 | Octane, 1, 8-diiodo- | FT-0607049 | DTXSID8067020 | A817488 | D2158 | MFCD00001106 | EINECS 246-456-6 | 1, 8-Diiodooctane, stabilized with copper | SCHEMBL630

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504756040
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756040
• Canonical Smiles: C(CCCCI)CCCI
• IUPAC Name: 1,8-diiodooctane
• InChIKey: KZDTZHQLABJVLE-UHFFFAOYSA-N
• INCHI: 1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
• Isomeric SMILES: C(CCCCI)CCCI
• WGK Germany: 3
• Molecular Weight: 366.02
• Beilstein: 1735440
• Reaxy-Rn: 1735437
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735437&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: 1.56
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 144°C/2mmHg(lit.)
• Molecular Weight: 366.020 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 365.934 Da
• Monoisotopic Mass: 365.934 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• 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. Xingjuan Ma, Jiaqi Kong, Wei Wang, Xin Li.  (2022)  Green-Solvent Engineering for Depositing Qualified Phenyl-C61-butyl Acid Methyl Ester Films for Inverted Flexible Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:36574762] [10.1021/acsami.2c17694]