1,3-Diiodobenzene - ≥98% , CAS No.626-00-6

CAS: 626-00-6 Cat. No.: D185637 Molecular Weight: 329.9 EC Number: 210-921-1

GRADE & PURITY ≥98%

Synonyms

1,3-DIIODOBENZENE | A20860 | AKOS009158315 | Benzene, m-diiodo- | DTXSID9060811 | SY029580 | EYA3RT2SVY | m-Diiodobenzene | 1,3-Diiodobenzene, 98% | D0607 | Benzene, 1,3-diiodo- | EN300-224968 | W-104985 | FT-0606670 | 1,3-diiodo-benzen;Benzene, 1,3-diiod

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3-DIIODOBENZENE | A20860 | AKOS009158315 | Benzene, m-diiodo- | DTXSID9060811 | SY029580 | EYA3RT2SVY | m-Diiodobenzene | 1, 3-Diiodobenzene, 98% | D0607 | Benzene, 1, 3-diiodo- | EN300-224968 | W-104985 | FT-0606670 | 1, 3-diiodo-benzen;Benzene, 1, 3-diiod

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

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: 504752292
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752292
• Canonical Smiles: C1=CC(=CC(=C1)I)I
• IUPAC Name: 1,3-diiodobenzene
• InChIKey: SFPQFQUXAJOWNF-UHFFFAOYSA-N
• INCHI: 1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
• Isomeric SMILES: C1=CC(=CC(=C1)I)I
• WGK Germany: 3
• Molecular Weight: 329.9
• Reaxy-Rn: 1904540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 284 °C
• Melt Point(°C): 35 °C
• Molecular Weight: 329.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 329.84 Da
• Monoisotopic Mass: 329.84 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• 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. Kunlin Liu, Jiuzhou Wang, Ting Yang, Hong Wang, Chengyang Wang, Mingming Chen.  (2020)  An “in situ templating” strategy towards mesoporous carbon for high-rate supercapacitor and high-adsorption capacity on dye macromolecules.  CARBON,      [PMID:] [10.1016/j.carbon.2020.03.050]