4'-Iodoacetanilide - ≥95%(GC) , CAS No.622-50-4

CAS: 622-50-4 Cat. No.: I135865 Fórmula: C₈H₈INO Peso molecular: 261.06 Número EC: 612-973-4

GRADE & PURITY ≥95%(GC)

Synonyms

EN300-384681 | SR-01000645158-1 | 10.14272/SIULLDWIXYYVCU-UHFFFAOYSA-N | 4-12-00-01546 (Beilstein Handbook Reference) | ACETANILIDE, 4'-IODO- | Maybridge1_006480 | 1Y-0922 | 4'-Iodoacetanilide | 4'-Iodo-acetanilide | 4-Iodoacetanilide | doi:10.14272/SIULL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-384681 | SR-01000645158-1 | 10.14272/SIULLDWIXYYVCU-UHFFFAOYSA-N | 4-12-00-01546 (Beilstein Handbook Reference) | ACETANILIDE, 4'-IODO- | Maybridge1_006480 | 1Y-0922 | 4'-Iodoacetanilide | 4'-Iodo-acetanilide | 4-Iodoacetanilide | doi:10.14272/SIULL

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

488181564

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181564

Sonrisas canónicas

CC(=O)NC1=CC=C(C=C1)I

IUPAC Name

N-(4-iodophenyl)acetamide

InChIKey

SIULLDWIXYYVCU-UHFFFAOYSA-N

INCHI

1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

Isómeros SMILES

CC(=O)NC1=CC=C(C=C1)I

RTECS

AE4285000

Peso molecular

261.06

Reaxy-Rn

2085726

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Acetanilides
          • Level6 Haloacetanilides
            • Level7 P-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: P-haloacetanilides
• Alternative Parents: N-acetylarylamines Iodobenzenes Aryl iodides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-haloacetanilide - N-acetylarylamine - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-substituted with a halogen atom.
• 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
• Punto de fusión (°C): 183 °C
• Peso molecular: 261.060 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 260.965 Da
• Monoisotopic Mass: 260.965 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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