2′-Iodoacetanilide - ≥97% , CAS No.19591-17-4

CAS: 19591-17-4 Cat. No.: I464440 Summenformel: C₈H₈INO Molekulargewicht: 261.06 Beilstein Registry Number: 2803067 EG-Nummer: 606-341-7

GRADE & PURITY ≥97%

Synonyms

Acetamide,N-(2-iodophenyl)- | IDI1_015768 | N-Acetyl-2-iodoaniline | AS-45288 | 3-chlorophenyl amine | DSSTox_CID_1446 | DTXSID30173251 | MFCD00099251 | A919598 | SCHEMBL74521 | AKOS003792462 | N-acetyl-o-iodoaniline | Acetamide, N-(2-iodophenyl)- | HMS14

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

Acetamide,N-(2-iodophenyl)- | IDI1_015768 | N-Acetyl-2-iodoaniline | AS-45288 | 3-chlorophenyl amine | DSSTox_CID_1446 | DTXSID30173251 | MFCD00099251 | A919598 | SCHEMBL74521 | AKOS003792462 | N-acetyl-o-iodoaniline | Acetamide, N-(2-iodophenyl)- | HMS14

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488188084
• Kanonisches Lächeln: CC(=O)NC1=CC=CC=C1I
• IUPAC Name: N-(2-iodophenyl)acetamide
• InChIKey: BCJOKHQYEDXBSF-UHFFFAOYSA-N
• INCHI: 1S/C8H8INO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
• Isomere SMILES: CC(=O)NC1=CC=CC=C1I
• Molekulargewicht: 261.06
• Beilstein: 2803067
• Reaxy-Rn: 2803067
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803067&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Acetanilides
          • Ebene6 Haloacetanilides
            • Ebene7 O-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: O-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: O-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
• Beschreibung: This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Molekulargewicht: 261.060 g/mol
• XLogP3: 1.500
• 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: 149.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 19591-17-4, the molecular formula is C8H8INO, and the molecular weight is 261.06 g/mol. InChIKey BCJOKHQYEDXBSF-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.