DBD-H [=4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole] [for HPLC Labeling] - ≥98%(HPLC) , CAS No.131467-86-2

CAS: 131467-86-2 Cat. No.: D155231 Peso molecular: 257.27 Número EC: 635-045-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

J-006008 | 7-Hydrazinyl-N,N-dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonamide | 4-(N,N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan | 2,1,3-Benzoxadiazole-4-sulfonamide, 7-hydrazinyl-N,N-dimethyl- | 4-(N,N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan, for flu

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

J-006008 | 7-Hydrazinyl-N, N-dimethylbenzo[c][1, 2, 5]oxadiazole-4-sulfonamide | 4-(N, N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan | 2, 1, 3-Benzoxadiazole-4-sulfonamide, 7-hydrazinyl-N, N-dimethyl- | 4-(N, N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan, for flu

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
• IUPAC Name: 7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
• InChIKey: VPDDJYGQJSTHTA-UHFFFAOYSA-N
• INCHI: 1S/C8H11N5O3S/c1-13(2)17(14,15)6-4-3-5(10-9)7-8(6)12-16-11-7/h3-4,10H,9H2,1-2H3
• Isómeros SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
• Peso molecular: 257.27
• Reaxy-Rn: 30826644
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30826644&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Phenylhydrazines Organosulfonamides Heteroaromatic compounds Furazans Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Phenylhydrazine - Organosulfonic acid amide - Benzenoid - Azole - Furazan - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organic oxygen compound - Hydrazine derivative - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen 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

• Sensibilidad: air and heat sensitive
• Peso molecular: 257.269 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 257.058 Da
• Monoisotopic Mass: 257.058 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 368.000
• 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