4-Amino-3-nitrobenzenesulfonamide - ≥95% , CAS No.2360-19-2

CAS: 2360-19-2 Cat. No.: A183052 Peso molecular: 217.2 Número EC: 853-247-9

GRADE & PURITY ≥95%

Synonyms

SY019562 | DTXSID50379011 | 4-amino-3-nitrobenzenesulfonamide | 4-Amino-3-nitro-benzenesulfonamide | A878193 | NCGC00339131-01 | AB01331185-02 | DZJCUJCWFQPICK-UHFFFAOYSA-N | Benzenesulfonamide, 4-amino-3-nitro- | Benzenesulfonamide,4-amino-3-nitro- | 4-A

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SY019562 | DTXSID50379011 | 4-amino-3-nitrobenzenesulfonamide | 4-Amino-3-nitro-benzenesulfonamide | A878193 | NCGC00339131-01 | AB01331185-02 | DZJCUJCWFQPICK-UHFFFAOYSA-N | Benzenesulfonamide, 4-amino-3-nitro- | Benzenesulfonamide, 4-amino-3-nitro- | 4-A

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488193584
• Sonrisas canónicas: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])N
• IUPAC Name: 4-amino-3-nitrobenzenesulfonamide
• InChIKey: DZJCUJCWFQPICK-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,7H2,(H2,8,12,13)
• Isómeros SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])N
• Peso molecular: 217.2
• Reaxy-Rn: 2697517
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697517&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: Aminobenzenesulfonamides
• Alternative Parents: Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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: Light sensitive
• Peso molecular: 217.210 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 217.016 Da
• Monoisotopic Mass: 217.016 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 317.000
• 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