Benzenediazonium, 4-sulfo-, tetrafluoroborate , CAS No.2145-24-6

CAS: 2145-24-6 Cat. No.: B1301152 Peso molecular: 271.99 Número EC: 633-643-6 PubChem CID: 160616

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.C1=CC(=CC=C1[N+]#N)S(=O)(=O)O
• IUPAC Name: 4-sulfobenzenediazonium;tetrafluoroborate
• InChIKey: SYMLGWMCRULOOW-UHFFFAOYSA-O
• INCHI: 1S/C6H4N2O3S.BF4/c7-8-5-1-3-6(4-2-5)12(9,10)11;2-1(3,4)5/h1-4H;/q;-1/p+1
• Isómeros SMILES: [B-](F)(F)(F)F.C1=CC(=CC=C1[N+]#N)S(=O)(=O)O
• PubChem CID: 160616
• Peso molecular: 271.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Diazonium tetrahaloborates Sulfonyls Organosulfonic acids Organic metalloid salts Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Diazonium tetrahaloborate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic diazonium salt - Organic metalloid salt - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked 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

• Peso molecular: 271.990 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 272.005 Da
• Monoisotopic Mass: 272.005 Da
• Topological Polar Surface Area: 90.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 308.000
• 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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