3,4-Dichloroiodobenzene - ≥98% , CAS No.20555-91-3

CAS: 20555-91-3 Cat. No.: D122906 Fórmula: C₆H₃Cl₂I Peso molecular: 272.9 Beilstein Registry Number: 2245136 Número EC: 243-874-0

GRADE & PURITY ≥98%

Synonyms

3,4-dichloro-1-iodobenzene | SCHEMBL80565 | 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel- | AC-9702 | EINECS 243-874-0 | FT-0614252 | 1,2-dichloro-5-iodobenzene | MLS000709254 | Maybridge1_008941 | A20568 | DTXSID9066625 | Z401315340 | AM61836 | MFCD0001

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Describtion:

3,4-Dichloroiodobenzene undergoes Stille coupling reaction with vinyltributyltin in the presence of Pd(0)precursors to furnish styrene derivative.

Product Application：

3,4-Dichloroiodobenzene may be used in the preparation of：tetrachloromethoxybiphenyls；1-(3,4-dichlorophenyl)-2-trimethylsilylacetylene；2-(3,4-dichlorocinnamyl)isoindoline-1,3-dione

Specifications

Sinónimos

3,4-dichloro-1-iodobenzene | SCHEMBL80565 | 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel- | AC-9702 | EINECS 243-874-0 | FT-0614252 | 1,2-dichloro-5-iodobenzene | MLS000709254 | Maybridge1_008941 | A20568 | DTXSID9066625 | Z401315340 | AM61836 | MFCD0001

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488186504

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186504

Sonrisas canónicas

C1=CC(=C(C=C1I)Cl)Cl

IUPAC Name

1,2-dichloro-4-iodobenzene

InChIKey

NADPFZNWCQIJJW-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H

Isómeros SMILES

C1=CC(=C(C=C1I)Cl)Cl

WGK Alemania

3

Peso molecular

272.9

Beilstein

2245136

Reaxy-Rn

2245136

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2245136&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Iodobenzenes Aryl iodides Aryl chlorides Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Iodobenzene - Aryl iodide - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light Sensitive
• Índice de refracción: 1.648
• Punto de ebullición (°C): 116-118°C/12mmHg
• Punto de fusión (°C): 29-31°C
• Peso molecular: 272.890 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 271.866 Da
• Monoisotopic Mass: 271.866 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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

Preguntas frecuentes

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 20555-91-3, the molecular formula is C6H3Cl2I, and the molecular weight is 272.9 g/mol. InChIKey NADPFZNWCQIJJW-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.