Benzanilide - ≥98%(GC) , CAS No.93-98-1

CAS: 93-98-1 Cat. No.: B152328 Summenformel: C₁₃H₁₁NO Molekulargewicht: 197.24 Beilstein Registry Number: 1102980 EG-Nummer: 202-292-7

QUALITÄT & REINHEIT ≥98%(GC)

Synonyms

N-Phenylbenzamide|N-Phenyl-benzamide|BENZANILIDE|n-benzoyl aniline|Benzoic acid anilide|N-Benzoylaniline|N-Phenylbenzoic acid amide|Benzamide, N-phenyl-|BENZANILIDE [MI]|Benzanilide (165 degrees C) Melting Point Standard|N-PHENYLBENZENECARBOXAMIDE

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

N-Phenylbenzamide | N-Phenyl-benzamide | BENZANILIDE | n-benzoyl aniline | Benzoic acid anilide | N-Benzoylaniline | N-Phenylbenzoic acid amide | Benzamide, N-phenyl- | BENZANILIDE [MI] | Benzanilide (165 degrees C) Melting Point Standard | N-PHENYLBENZENECARBOXAMIDE

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488180320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180320

Kanonisches Lächeln

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

IUPAC Name

N-phenylbenzamide

InChIKey

ZVSKZLHKADLHSD-UHFFFAOYSA-N

INCHI

1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)

Isomere SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

WGK Deutschland

3

Molekulargewicht

197.24

Beilstein

1102980

Reaxy-Rn

1102980

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102980&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Benzoyl derivatives Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzoic acid or derivatives - Benzamide - Benzoyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 166 °C
• Molekulargewicht: 197.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.084 Da
• Monoisotopic Mass: 197.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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