N-bencil 4-bromobencenosulfonamida - ≥98% , CAS No.3609-87-8

CAS: 3609-87-8 Cat. No.: N184018 Fórmula: C₁₃H₁₂BrNO₂S Peso molecular: 326.2

GRADE & PURITY ≥98%

Synonyms

A874436 | F1058-0198 | NIOSH/DA9866000 | Benzenesulfonamide, 4-bromo-N-(phenylmethyl)- | BS-25139 | DA98660000 | Z45508776 | DTXSID60341249 | AB06004 | 4-Bromo-N-(phenylmethyl)benzenesulfonamide | Cerep_001921 | MFCD00450587 | N-Benzyl-p-bromobenzenesulfo

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

A874436 | F1058-0198 | NIOSH/DA9866000 | Benzenesulfonamide, 4-bromo-N-(phenylmethyl)- | BS-25139 | DA98660000 | Z45508776 | DTXSID60341249 | AB06004 | 4-Bromo-N-(phenylmethyl)benzenesulfonamide | Cerep_001921 | MFCD00450587 | N-Benzyl-p-bromobenzenesulfo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488190363

Sonrisas canónicas

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Br

IUPAC Name

N-benzyl-4-bromobenzenesulfonamide

InChIKey

KBFYMIDQZWIKJR-UHFFFAOYSA-N

INCHI

1S/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2

Isómeros SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Br

Peso molecular

326.2

Reaxy-Rn

2944204

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2944204&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 Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

• Peso molecular: 326.210 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 324.977 Da
• Monoisotopic Mass: 324.977 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 338.000
• 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

Preguntas frecuentes

How is this product shipped?

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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 3609-87-8, the molecular formula is C13H12BrNO2S, and the molecular weight is 326.2 g/mol. InChIKey KBFYMIDQZWIKJR-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.