4'-Nitrobenzanilide - ≥98% , CAS No.3393-96-2

CAS: 3393-96-2 Cat. No.: N159418 Formule: C₁₃H₁₀N₂O₃ Poids moléculaire: 242.23 Numéro CE: 222-241-2

GRADE & PURITY ≥98%

Synonyms

Aniline, N-benzoyl-p-nitro- | NSC 82120 | EN300-7399438 | N-BENZOYL-PARA-NITROANILINE | SR-01000414616 | SR-01000414616-1 | Benzamide, N-(p-nitrophenyl)- | AKOS000503388 | N-(p-Nitrophenyl)benzamide | A822009 | Benzanilide, 4'-nitro | Benzanilide, 4'-nitr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Aniline, N-benzoyl-p-nitro- | NSC 82120 | EN300-7399438 | N-BENZOYL-PARA-NITROANILINE | SR-01000414616 | SR-01000414616-1 | Benzamide, N-(p-nitrophenyl)- | AKOS000503388 | N-(p-Nitrophenyl)benzamide | A822009 | Benzanilide, 4'-nitro | Benzanilide, 4'-nitr

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488185345
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185345
• Sourires canoniques: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: N-(4-nitrophenyl)benzamide
• InChIKey: GMGQGZYFQSCZCW-UHFFFAOYSA-N
• INCHI: 1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)
• Isomères SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
• Poids moléculaire: 242.23
• Reaxy-Rn: 2216529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Nitrobenzenes Benzamides Nitroaromatic compounds Benzoyl derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 199 °C
• Poids moléculaire: 242.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.069 Da
• Monoisotopic Mass: 242.069 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 300.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 3393-96-2, the molecular formula is C13H10N2O3, and the molecular weight is 242.23 g/mol. InChIKey GMGQGZYFQSCZCW-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.