9-Ethyl-3-nitrocarbazole - ≥98% , CAS No.86-20-4

CAS: 86-20-4 Cat. No.: E334897 Summenformel: C₁₄H₁₂N₂O₂ Molekulargewicht: 240.26 EG-Nummer: 201-655-7

GRADE & PURITY ≥98%

Synonyms

9-Ethyl-3-nitrocarbazole, 98% | AS-14545 | Tox21_301272 | 3-Nitro-N-Ethyl carbazole | CCG-253850 | UNII-00X39KP0AS | AKOS001030159 | NCGC00256185-01 | NSC17817 | NSC-17817 | NSC 17817 | 9-Ethyl-3-nitro-9H-carbazole # | Z56759381 | E85384 | 9-Ethyl-3-nitro

Storage

Room temperature

Shipped In

Normal

Übersicht

9-Ethyl-3-nitrocarbazole can be prepared from 9-ethyl carbazole via nitration. Its crystals exhibit triclinic crystal system.

Specifications

Synonyme

9-Ethyl-3-nitrocarbazole, 98% | AS-14545 | Tox21_301272 | 3-Nitro-N-Ethyl carbazole | CCG-253850 | UNII-00X39KP0AS | AKOS001030159 | NCGC00256185-01 | NSC17817 | NSC-17817 | NSC 17817 | 9-Ethyl-3-nitro-9H-carbazole # | Z56759381 | E85384 | 9-Ethyl-3-nitro

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183807
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183807
• Kanonisches Lächeln: CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31
• IUPAC Name: 9-ethyl-3-nitrocarbazole
• InChIKey: WONHLSYSHMRRGO-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
• Isomere SMILES: CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31
• Molekulargewicht: 240.26
• Reaxy-Rn: 236871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=236871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Nitroaromatic compounds Substituted pyrroles Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Nitroaromatic compound - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

• Molekulargewicht: 240.260 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.09 Da
• Monoisotopic Mass: 240.09 Da
• Topological Polar Surface Area: 50.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 328.000
• 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