1,6-Diiodohexane - ≥98%(GC), stabilized with copper , CAS No.629-09-4

CAS: 629-09-4 Cat. No.: D119377 Formula: I(CH₂)₆I Molecular Weight: 337.97 Beilstein Registry Number: 1147 EC Number: 211-073-5

GRADE & PURITY ≥98%(GC), stabilized with copper

Synonyms

F0001-1700 | QLIMAARBRDAYGQ-UHFFFAOYSA- | D78160 | SCHEMBL633690 | A834085 | D2443 | DTXSID9060865 | MFCD00001103 | 1,6-Diiodohexane, 97%, contains copper as stabilizer | J-802017 | SY049487 | EN300-19403 | EINECS 211-073-5 | InChI=1/C6H12I2/c7-5-3-1-2-4-

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

1,6-Diiodohexane has been used:

• in preparation of cationic tissue plasminogen activator (t-PA)-containing polyurethane surfaces

• as solvent additive, to improve the power conversion effciency of polymer/fullerene bulk heterojunction solar cells

• synthesis of new macrocycles, having 2,4-dihydroxybenzophenone as a connecting unit

• preparation of a novel ionic electrolyte, 3-(iodohexyl)-1-(3-(triethoxysilyl)propylcarbamoyl)-1H-benzo[d]imidazol-3-ium iodide

Specifications

Synonyms

F0001-1700 | QLIMAARBRDAYGQ-UHFFFAOYSA- | D78160 | SCHEMBL633690 | A834085 | D2443 | DTXSID9060865 | MFCD00001103 | 1,6-Diiodohexane, 97%, contains copper as stabilizer | J-802017 | SY049487 | EN300-19403 | EINECS 211-073-5 | InChI=1/C6H12I2/c7-5-3-1-2-4-

Specifications & Purity

≥98%(GC), stabilized with copper

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504752318

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752318

Canonical Smiles

C(CCCI)CCI

IUPAC Name

1,6-diiodohexane

InChIKey

QLIMAARBRDAYGQ-UHFFFAOYSA-N

INCHI

1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

Isomeric SMILES

C(CCCI)CCI

WGK Germany

3

RTECS

MO1700000

Molecular Weight

337.97

Beilstein

1147

Reaxy-Rn

1280128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280128&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: Immiscible with water.
• Sensitivity: Air & light Sensitive
• Refractive Index: n20/D 1.5852(lit.)
• Flash Point(°F): 235.4 °F
• Flash Point(°C): >110°(230°F)
• Boil Point(°C): 141-142°C/10mmHg
• Melt Point(°C): 9-10°C
• Molecular Weight: 337.970 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 337.903 Da
• Monoisotopic Mass: 337.903 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 31.500
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 629-09-4, the molecular formula is I(CH2)6I, and the molecular weight is 337.97 g/mol. InChIKey QLIMAARBRDAYGQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.