4-Nitrotriphenylamine - ≥98% , CAS No.4316-57-8

CAS: 4316-57-8 Cat. No.: N102497 Formule: C₁₈H₁₄N₂O₂ Poids moléculaire: 290.32 Beilstein Registry Number: 12(4)1621 Numéro CE: 678-311-1

GRADE & PURITY ≥98%

Synonyms

4-Nitrotriphenylamine | 4-Nitro-N,N-diphenylaniline | 4-nitro-N,N-diphenyl-aniline | Ethyl?7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate | A826192 | AS-47887 | AB00076740-01 | UQOKZDUUBVGFAK-UHFFFAOYSA-N | AKOS015964509 | F16692 | SY056308 | Benzenamin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-Nitrotriphenylamine | 4-Nitro-N,N-diphenylaniline | 4-nitro-N,N-diphenyl-aniline | Ethyl?7-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate | A826192 | AS-47887 | AB00076740-01 | UQOKZDUUBVGFAK-UHFFFAOYSA-N | AKOS015964509 | F16692 | SY056308 | Benzenamin

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504758555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758555
• Sourires canoniques: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
• IUPAC Name: 4-nitro-N,N-diphenylaniline
• InChIKey: UQOKZDUUBVGFAK-UHFFFAOYSA-N
• INCHI: 1S/C18H14N2O2/c21-20(22)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
• Isomères SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
• Poids moléculaire: 290.32
• Beilstein: 12(4)1621
• Reaxy-Rn: 2813372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2813372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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EPHA4 Tchem Ephrin type-A receptor 4 (2022 Activities)

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HepG2 (196354 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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

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RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

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CHO (4503 Activities)

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Tlr9 Toll-like receptor 9 (360 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 145°C
• Poids moléculaire: 290.300 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.106 Da
• Monoisotopic Mass: 290.106 Da
• Topological Polar Surface Area: 49.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 331.000
• 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

Références

1. Weijie Wang, Zhihao Zhao, Gongmo Xiang, Jie Zha, Lingyun Xu, Xiaohan Sun, Hongyang Liu, Xiangyu Jiang.  (2026)  AIE-based microwire array sensors enable acid vapor sensing via hydrogen-bond-mediated fluorescence response.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.172682]