9-(2-Naphthalenyl)-3,6-DibroMo-9H-carbazole - ≥98% , CAS No.1221237-83-7

CAS: 1221237-83-7 Cat. No.: N395962 Peso molecular: 451.15332 Número EC: 836-096-3

GRADE & PURITY ≥98%

Synonyms

SCHEMBL12362746 | BS-45090 | OL10042 | 3,6-dibromo-9-naphthalen-2-ylcarbazole | OL10046 | 3,6-Dibromo-9-(naphthalen-2-yl)-9H-carbazole | WYB23783 | T71647 | 9-(2-naphthalenyl)-3,6-DibroMo-9H-carbazole | 3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole | D5546

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL12362746 | BS-45090 | OL10042 | 3, 6-dibromo-9-naphthalen-2-ylcarbazole | OL10046 | 3, 6-Dibromo-9-(naphthalen-2-yl)-9H-carbazole | WYB23783 | T71647 | 9-(2-naphthalenyl)-3, 6-DibroMo-9H-carbazole | 3, 6-Dibromo-9-(2-naphthalenyl)-9H-carbazole | D5546

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201919
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201919
• Sonrisas canónicas: C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)Br)C5=C3C=CC(=C5)Br
• IUPAC Name: 3,6-dibromo-9-naphthalen-2-ylcarbazole
• InChIKey: ZPMPPIIUVAZBBQ-UHFFFAOYSA-N
• INCHI: 1S/C22H13Br2N/c23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18/h1-13H
• Isómeros SMILES: C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)Br)C5=C3C=CC(=C5)Br
• Peso molecular: 451.15332
• Reaxy-Rn: 21607337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21607337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Carbazoles Naphthalenes Indoles Substituted pyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polybrominated biphenyl - Carbazole - Naphthalene - Indole - Indole or derivatives - Substituted pyrrole - Aryl bromide - Aryl halide - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 197.0 to 201.0 °C
• Peso molecular: 451.200 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 450.939 Da
• Monoisotopic Mass: 448.941 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 457.000
• 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