N-Benzyl-N-nitroso-p-toluenesulfonamide - ≥98% , CAS No.33528-13-1

CAS: 33528-13-1 Cat. No.: N159116 Peso molecular: 290.34 Beilstein Registry Number: 16(4)873 Número EC: 678-227-5

GRADE & PURITY ≥98%

Synonyms

DTXSID60399508 | N-benzyl-4-methyl-N-nitrosobenzenesulfonamide | ZXELPGWSCCGNDS-UHFFFAOYSA-N | B3051 | AKOS015900659 | N-Nitroso-N-benzyl-p-toluenesulphonamide | MFCD00216617 | N-benzyl-4-methyl-N'-oxobenzenesulfonohydrazide | N-Benzyl-N-nitroso-p-toluene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID60399508 | N-benzyl-4-methyl-N-nitrosobenzenesulfonamide | ZXELPGWSCCGNDS-UHFFFAOYSA-N | B3051 | AKOS015900659 | N-Nitroso-N-benzyl-p-toluenesulphonamide | MFCD00216617 | N-benzyl-4-methyl-N'-oxobenzenesulfonohydrazide | N-Benzyl-N-nitroso-p-toluene

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
• IUPAC Name: N-benzyl-4-methyl-N-nitrosobenzenesulfonamide
• InChIKey: ZXELPGWSCCGNDS-UHFFFAOYSA-N
• INCHI: 1S/C14H14N2O3S/c1-12-7-9-14(10-8-12)20(18,19)16(15-17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
• Peso molecular: 290.34
• Beilstein: 16(4)873
• Reaxy-Rn: 1823697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1823697&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonohydrazides Sulfonyls Organic N-nitroso compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Sulfonohydrazide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic n-nitroso compound - Organic nitroso compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-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

• Solubilidad: Soluble in Toluene
• Sensibilidad: Heat Sensitive;air sensitive
• Punto de fusión (°C): 85°C(lit.)
• Peso molecular: 290.340 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 290.073 Da
• Monoisotopic Mass: 290.073 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 405.000
• 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