2,7-Di-tert-butyl-9H-carbazole - ≥98% , CAS No.69386-35-2

CAS: 69386-35-2 Cat. No.: D404373 Peso molecular: 279.43 Número EC: 814-372-4

GRADE & PURITY ≥98%

Synonyms

SCHEMBL2606005 | D97240 | 2,7-di-t-butylcarbazole | 2,7-di-tert-butylcarbazole | MFCD32204944 | D5865 | A930100 | 2,7-Bis(1,1-dimethylethyl)-9H-carbazole | 2,7-ditert-butyl-9H-carbazol | AS-75585 | DTXSID501278087 | 2,7-Di-tert-butyl-9H-carbazole | 2,7-di

Storage

Argon charged,Room temperature

Specifications

Sinónimos

SCHEMBL2606005 | D97240 | 2, 7-di-t-butylcarbazole | 2, 7-di-tert-butylcarbazole | MFCD32204944 | D5865 | A930100 | 2, 7-Bis(1, 1-dimethylethyl)-9H-carbazole | 2, 7-ditert-butyl-9H-carbazol | AS-75585 | DTXSID501278087 | 2, 7-Di-tert-butyl-9H-carbazole | 2, 7-di

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488198116
• Sonrisas canónicas: CC(C)(C)C1=CC2=C(C=C1)C3=C(N2)C=C(C=C3)C(C)(C)C
• IUPAC Name: 2,7-ditert-butyl-9H-carbazole
• InChIKey: YAWXNJICXSLGGQ-UHFFFAOYSA-N
• INCHI: 1S/C20H25N/c1-19(2,3)13-7-9-15-16-10-8-14(20(4,5)6)12-18(16)21-17(15)11-13/h7-12,21H,1-6H3
• Isómeros SMILES: CC(C)(C)C1=CC2=C(C=C1)C3=C(N2)C=C(C=C3)C(C)(C)C
• Peso molecular: 279.43
• Reaxy-Rn: 1647239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1647239&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 154 °C
• Peso molecular: 279.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 279.199 Da
• Monoisotopic Mass: 279.199 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 336.000
• 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