1,4-Diiodobenzene - ≥98% , CAS No.624-38-4

CAS: 624-38-4 Cat. No.: D111116 Formula: C₆H₄I₂ Peso molecolare: 329.91 Beilstein Registry Number: 1904546 Numero EC: 210-842-2

GRADE & PURITY ≥98%

Synonyms

4-IODOPHENYL IODIDE | AM20040890 | Benzene, 1,4-diiodo- | EN300-21234 | InChI=1/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4 | Benzene,4-diiodo- | DTXSID2022092 | 1,4 di-idobenzene | NSC6297 | NSC-6297 | 1,4 diiodobenzene | 1,4 di-iodobenzene | p-Benzene diiodide | 1,4

Storage

Room temperature

Shipped In

Normal

Panoramica

1,4-Diiodobenzene was used in: . total synthesis of martinellic acid, a naturally occurring bradykinin receptor antagonist . preparation of 1,4-bis(p-R-phenylethynyl)benzenes via Pd11/Cu1catalyzed cross-coupling reaction . synthesis of 1,4-diiodo-2,5-didodecylbenzene, starting reagent for the preparation of oligo(1,4-phenylene ethynylene)s . surface-mediated synthesis of epitaxially aligned and separated polyphenylene lines on Cu(110) via Ullmann dehalogenation reaction

Specifications

Sinonimi

4-IODOPHENYL IODIDE | AM20040890 | Benzene, 1,4-diiodo- | EN300-21234 | InChI=1/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4 | Benzene,4-diiodo- | DTXSID2022092 | 1,4 di-idobenzene | NSC6297 | NSC-6297 | 1,4 diiodobenzene | 1,4 di-iodobenzene | p-Benzene diiodide | 1,4

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504752282

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752282

Sorrisi canonici

C1=CC(=CC=C1I)I

IUPAC Name

1,4-diiodobenzene

InChIKey

LFMWZTSOMGDDJU-UHFFFAOYSA-N

INCHI

1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H

Isomeri SMILES

C1=CC(=CC=C1I)I

WGK Germania

3

Peso molecolare

329.91

Beilstein

1904546

Reaxy-Rn

1904546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904546&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ether and ethanol. Insoluble in water.
• Sensibilità: Light sensitive.
• Punto di ebollizione (°C): 285°C
• Punto di fusione (°C): 128-132°C
• Peso molecolare: 329.900 g/mol
• XLogP3: 4.100
• 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: 54.900
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 624-38-4, the molecular formula is C6H4I2, and the molecular weight is 329.91 g/mol. InChIKey LFMWZTSOMGDDJU-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.