(5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone - ≥98% , CAS No.869365-97-9

CAS: 869365-97-9 Cat. No.: C195437 Fórmula: C₁₃H₆ClF₂IO Peso molecular: 378.54 Número CE: 687-007-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL2509357 | F31029 | (5-Chloro-2-iodo-phenyl)-(2,6-difluoro-phenyl)-methanone | (5-chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone | (5-CHLORO-2-IODOPHENYL)(2,6-DIFLUOROPHENYL)METHANONE | DTXSID60676422 | DS-12883 | AKOS015853430 | MFCD10565698 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL2509357 | F31029 | (5-Chloro-2-iodo-phenyl)-(2,6-difluoro-phenyl)-methanone | (5-chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone | (5-CHLORO-2-IODOPHENYL)(2,6-DIFLUOROPHENYL)METHANONE | DTXSID60676422 | DS-12883 | AKOS015853430 | MFCD10565698 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)I)F
• IUPAC Name: (5-chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone
• InChIKey: MVEWMRFXBCKZMY-UHFFFAOYSA-N
• INCHI: 1S/C13H6ClF2IO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H
• SMILES isoméricas: C1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)I)F
• Peso molecular: 378.54
• Reaxy-Rn: 14466929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14466929&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Iodobenzenes Fluorobenzenes Chlorobenzenes Aryl iodides Aryl fluorides Aryl chlorides Vinylogous halides Organoiodides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Aryl chloride - Vinylogous halide - Ketone - Organoiodide - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Peso molecular: 378.540 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 377.912 Da
• Monoisotopic Mass: 377.912 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 305.000
• 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

How should this product be stored?

Store at room temperature.

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 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 869365-97-9, the molecular formula is C13H6ClF2IO, and the molecular weight is 378.54 g/mol. InChIKey MVEWMRFXBCKZMY-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.