2-Acetamidobenzaldehyde - ≥95% , CAS No.13493-47-5

CAS: 13493-47-5 Cat. No.: A151026 Fórmula: C₉H₉NO₂ Peso molecular: 163.18 Número EC: 695-135-0

GRADE & PURITY ≥95%

Synonyms

10.14272/OWMJAQBUFVTERI-UHFFFAOYSA-N.1 | AS-59137 | T70224 | N-(2-formylphenyl)acetamide | N-(2-Formyl-phenyl)acetamide | N-(2-Formyl-phenyl)-acetamide | acetamidobenzaldehyde | N-(2-formyl-phenyl)-acetamide, AldrichCPR | OWMJAQBUFVTERI-UHFFFAOYSA-N | NSC

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

10.14272/OWMJAQBUFVTERI-UHFFFAOYSA-N.1 | AS-59137 | T70224 | N-(2-formylphenyl)acetamide | N-(2-Formyl-phenyl)acetamide | N-(2-Formyl-phenyl)-acetamide | acetamidobenzaldehyde | N-(2-formyl-phenyl)-acetamide, AldrichCPR | OWMJAQBUFVTERI-UHFFFAOYSA-N | NSC

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488189510
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189510
• Sonrisas canónicas: CC(=O)NC1=CC=CC=C1C=O
• IUPAC Name: N-(2-formylphenyl)acetamide
• InChIKey: OWMJAQBUFVTERI-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-6H,1H3,(H,10,12)
• Isómeros SMILES: CC(=O)NC1=CC=CC=C1C=O
• Peso molecular: 163.18
• Reaxy-Rn: 2084061
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084061&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Benzoyl derivatives Benzaldehydes Vinylogous amides Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - Benzaldehyde - Benzoyl - N-arylamide - Aryl-aldehyde - Acetamide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• 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

• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 103°C/0.2mmHg(lit.)
• Punto de fusión (°C): 67 °C
• Peso molecular: 163.170 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% 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 13493-47-5, the molecular formula is C9H9NO2, and the molecular weight is 163.18 g/mol. InChIKey OWMJAQBUFVTERI-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.