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

CAS: 3393-96-2 Cat. No.: N159418 Fórmula: C₁₃H₁₀N₂O₃ Peso molecular: 242.23 Número CE: 222-241-2

GRADE & PURITY ≥98%

Synonyms

Anilina, N-benzoil-p-nitro- | NSC 82120 | EN300-7399438 | N-BENZOYL-PARA-NITROANILINE | SR-01000414616 | SR-01000414616-1 | Benzamida, N-(p-nitrofenil)- | AKOS000503388 | N-(p-Nitrofenil)benzamida | A822009 | Benzanilida, 4'-nitro | Benzanilida, 4'-nitr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Anilina, N-benzoil-p-nitro- | NSC 82120 | EN300-7399438 | N-BENZOYL-PARA-NITROANILINE | SR-01000414616 | SR-01000414616-1 | Benzamida, N-(p-nitrofenil)- | AKOS000503388 | N-(p-Nitrofenil)benzamida | A822009 | Benzanilida, 4'-nitro | Benzanilida, 4'-nitr

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488185345
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185345
• Sorrisos canónicos: 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)
• SMILES isoméricas: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
• Peso molecular: 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
• Descrição: 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

Alvos associados (humanos)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mitf Microphthalmia-associated transcription factor (11 Activities)

Discover Target: Mitf

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 199 °C
• Peso molecular: 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

Perguntas frequentes

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.