3,5-Dichloroiodobenzene - ≥98% , CAS No.3032-81-3

CAS: 3032-81-3 Cat. No.: D103591 Fórmula: Cl₂C₆H₃I Peso molecular: 272.9 Número CE: 221-216-3

GRADE & PURITY ≥98%

Synonyms

1,3-Dichloro-5-iodobenzene | 3,5-Dichloroiodobenzene, 99% | 3,5-dichloro iodobenzene | NCIOpen2_004166 | UNII-V7B3N2933K | UNII-4271ZA8WXO | DTXSID4062800 | AC1268 | NSC80149 | NSC-80149 | Z401461928 | NSC-89195 | MFCD00001047 | A5582 | 3,5-Dichlorophenyl

Storage

Room temperature

Shipped In

Normal

Visão geral

3,5-Dichloroiodobenzene was used as selective reagent for the derivatization of proximinal bifunctional compounds.

Specifications

Sinónimos

1,3-Dichloro-5-iodobenzene | 3,5-Dichloroiodobenzene, 99% | 3,5-dichloro iodobenzene | NCIOpen2_004166 | UNII-V7B3N2933K | UNII-4271ZA8WXO | DTXSID4062800 | AC1268 | NSC80149 | NSC-80149 | Z401461928 | NSC-89195 | MFCD00001047 | A5582 | 3,5-Dichlorophenyl

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488185264

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185264

Sorrisos canónicos

C1=C(C=C(C=C1Cl)I)Cl

IUPAC Name

1,3-dichloro-5-iodobenzene

InChIKey

AATPRMRVLQZEHB-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=C(C=C(C=C1Cl)I)Cl

WGK Alemanha

3

Peso molecular

272.9

Reaxy-Rn

2242455

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2242455&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: 1,3-dichlorobenzene - Iodobenzene - Aryl iodide - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Ponto de ebulição (°C): 127°C/20mm
• Ponto de fusão (°C): 56-58°C
• Peso molecular: 272.890 g/mol
• XLogP3: 3.800
• 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: 87.100
• 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

Perguntas frequentes

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 3032-81-3, the molecular formula is Cl2C6H3I, and the molecular weight is 272.9 g/mol. InChIKey AATPRMRVLQZEHB-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.