3-Bromobenzenesulfonyl Chloride - ≥95% , CAS No.2905-24-0

CAS: 2905-24-0 Cat. No.: B1371434 Peso molecular: 255.52 Número EC: 628-300-2

GRADE & PURITY ≥95%

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

3-Bromobenzenesulfonyl chloride is an aryl sulfonyl chloride derivative. It participates in the synthesis of N-sulfonylanthranilic acid derivatives and potent P1′ benzenesulfonyl azacyclic urea human immunodeficiency virus (HIV) protease inhibitors.

Product Application
3-Bromobenzenesulfonyl chloride may be used in the preparation of:
• 2-(3-bromophenyl)-5-n-butylfuran
• 2-(3-bromophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran
• 3-bromo-4-(3-bromophenyl)thiophene
• 2,5-bis(3-bromophenyl)-1-methylpyrrole

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)Br)S(=O)(=O)Cl
• IUPAC Name: 3-bromobenzenesulfonyl chloride
• InChIKey: PJGOLCXVWIYXRQ-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
• Isómeros SMILES: C1=CC(=CC(=C1)Br)S(=O)(=O)Cl
• WGK Alemania: 3
• Número ONU: 3265
• Peso molecular: 255.52
• Reaxy-Rn: 2691656
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691656&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds
        • Level5 Benzenesulfonyl halides
          • Level6 Benzenesulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: Bromobenzenes Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organobromide - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride 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: Hygroscopic
• Índice de refracción: 1.593
• Punto de inflamación (°F): ＞230°F
• Punto de inflamación (°C): ＞110℃
• Punto de ebullición (°C): 90-91°C
• Punto de fusión (°C): 30-33℃
• Peso molecular: 255.520 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.88 Da
• Monoisotopic Mass: 253.88 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 221.000
• 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