Dibencenosulfonamidas - ≥97% , CAS No.2618-96-4

CAS: 2618-96-4 Cat. No.: D121947 Fórmula: C₁₂H₁₁NO₄S₂ Peso molecular: 297.354 Beilstein Registry Number: 11(4)85 Número EC: 220-051-4

GRADE & PURITY ≥97%

Synonyms

CBDivE_004172 | AMY28703 | D2540 | Dibenzolsulfimide | MFCD00006168 | W-107191 | HMS1577G12 | Diphenylsulfonimide | SY015125 | AI3-28459 | ANILINE, (p-HEXYLOXY)- | Benzenesulfonic acid imide | Bis(phenylsulfonyl)amine | AC-28774 | CHEBI:196991 | AKOS01589

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CBDivE_004172 | AMY28703 | D2540 | Dibenzolsulfimide | MFCD00006168 | W-107191 | HMS1577G12 | Diphenylsulfonimide | SY015125 | AI3-28459 | ANILINE, (p-HEXYLOXY)- | Benzenesulfonic acid imide | Bis(phenylsulfonyl)amine | AC-28774 | CHEBI:196991 | AKOS01589

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754978
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754978
• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
• IUPAC Name: N-(benzenesulfonyl)benzenesulfonamide
• InChIKey: OVQABVAKPIYHIG-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
• Peso molecular: 297.354
• Beilstein: 11(4)85
• Reaxy-Rn: 2145601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2145601&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: Benzenesulfonyl compounds Organosulfonic acids and derivatives Aminosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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 water
• Punto de fusión (°C): 158°C
• Peso molecular: 297.400 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 297.013 Da
• Monoisotopic Mass: 297.013 Da
• Topological Polar Surface Area: 97.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 429.000
• 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

Referencias

1. Kanglong Guo, Chunlei Zhu, Huaping Wang, Shihan Qi, Junda Huang, Daxiong Wu, Jianmin Ma.  (2023)  Conductive Li+ Moieties-Rich Cathode Electrolyte Interphase with Electrolyte Additive for 4.6 V Well-Cycled Li||LiCoO2 Batteries.  Advanced Energy Materials,  13  (20): (2204272).  [PMID:] [10.1002/aenm.202204272]

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2618-96-4, the molecular formula is C12H11NO4S2, and the molecular weight is 297.354 g/mol. InChIKey OVQABVAKPIYHIG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.