Benzenediazonium, 4-(diethylamino)-, tetrafluoroborate(1-) (1:1) , CAS No.347-46-6

CAS: 347-46-6 Cat. No.: B1296990 Número EC: 206-472-6 PubChem CID: 67669

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: [B-](F)(F)(F)F.CCN(CC)C1=CC=C(C=C1)[N+]#N
• IUPAC Name: 4-(diethylamino)benzenediazonium;tetrafluoroborate
• InChIKey: USBTWRKXQLWQIJ-UHFFFAOYSA-N
• INCHI: 1S/C10H14N3.BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2-1(3,4)5/h5-8H,3-4H2,1-2H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CCN(CC)C1=CC=C(C=C1)[N+]#N
• CAS alternativo: 347-46-6,21906-90-1 (Parent)
• PubChem CID: 67669

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic diazonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic diazonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Diazonium tetrahaloborates
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Organic metalloid salts Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diazonium tetrahaloborate - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Organic metalloid salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diazonium tetrahaloborates. These are organic compounds containing a tetrahaloborate ion and a diazonium ion.
• 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

• Peso molecular: 263.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 263.122 Da
• Monoisotopic Mass: 263.122 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 201.000
• 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: 2

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