2-Iodobenzoyl Chloride - ≥97%(T) , CAS No.609-67-6

CAS: 609-67-6 Cat. No.: I157678 Peso molecular: 266.46 Beilstein Registry Number: 2042670 Número EC: 210-196-1

GRADE & PURITY ≥97%(T)

Synonyms

2-iodo-1-benzenecarbonyl chloride | 2-iodobezoyl chloride | 2-Iodobenzoyl chloride | 2-iodo-benzoyl chloride | 2-iodobenzoylchloride | Benzoyl chloride, 2-iodo- | AMY40729 | SCHEMBL502454 | AKOS009159023 | EN300-132294 | 2-iodobenzoic chloride | 2-Iodoben

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Usually used in palladium-catalyzed synthesis of carbomethoxy functional group-induced isoindolin-1-ones，preparation of starting materials required for the synthesis of novel cyclic derivatives of pentavalent iodine, benziodazole oxides.

Specifications

Sinónimos

2-iodo-1-benzenecarbonyl chloride | 2-iodobezoyl chloride | 2-Iodobenzoyl chloride | 2-iodo-benzoyl chloride | 2-iodobenzoylchloride | Benzoyl chloride, 2-iodo- | AMY40729 | SCHEMBL502454 | AKOS009159023 | EN300-132294 | 2-iodobenzoic chloride | 2-Iodoben

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 504754337
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754337
• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)Cl)I
• IUPAC Name: 2-iodobenzoyl chloride
• InChIKey: MVIVDSWUOGNODP-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)Cl)I
• WGK Alemania: 3
• Peso molecular: 266.46
• Beilstein: 2042670
• Reaxy-Rn: 2042672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 2-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 2-halobenzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous halides Acyl chlorides Organooxygen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Acyl halide - Acyl chloride - Organoiodide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
• 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: Reacts with water.
• Sensibilidad: Moisture &light Sensitivev
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 106°C/1mmHg(lit.)
• Punto de fusión (°C): 27-31 °C
• Peso molecular: 266.460 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 265.9 Da
• Monoisotopic Mass: 265.9 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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