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

CAS: 4316-57-8 Cat. No.: N102497 Summenformel: C₁₈H₁₄N₂O₂ Molekulargewicht: 290.32 Beilstein Registry Number: 12(4)1621 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504758555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758555
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
• Molekulargewicht: 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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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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VDR Tclin Vitamin D receptor (26531 Activities)

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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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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 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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GMNN Tbio Geminin (128009 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 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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ATXN2 Tbio Ataxin-2 (54410 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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CRHR2 Tchem Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein (4148 Activities)

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

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Cruzipain (33337 Activities)

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Plasmodium falciparum (966862 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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bla(tem-2) Beta Lactamase (819 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 145°C
• Molekulargewicht: 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

Referenzen

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]