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

CAS: 13493-47-5 Cat. No.: A151026 Formula: C₉H₉NO₂ Molecular Weight: 163.18 EC Number: 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

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

Specifications & Purity

≥95%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

488189510

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189510

Canonical Smiles

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)

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C=O

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Boil Point(°C): 103°C/0.2mmHg(lit.)
• Melt Point(°C): 67 °C
• Molecular Weight: 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

Frequently Asked Questions

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.