Cloruro de pentafluorobencenosulfonilo - ≥98% , CAS No.832-53-1

CAS: 832-53-1 Cat. No.: P124665 Peso molecular: 266.57 Beilstein Registry Number: 2142325 Número EC: 212-620-0

GRADE & PURITY ≥98%

Synonyms

NSC96998 | NSC-96998 | UNII-2P6FR9SY79 | Pentafluorobenzenesulfonyl chloride, 99% | Benzene,1-chlorosulphonyl-2,3,4,5,6-pentafluoro- | PS-10806 | Benzenesulfonyl chloride, pentafluoro- | DTXSID50232213 | 2,3,4,5,6-Pentafluorobenzenesulfonyl choride | BP-2

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC96998 | NSC-96998 | UNII-2P6FR9SY79 | Pentafluorobenzenesulfonyl chloride, 99% | Benzene, 1-chlorosulphonyl-2, 3, 4, 5, 6-pentafluoro- | PS-10806 | Benzenesulfonyl chloride, pentafluoro- | DTXSID50232213 | 2, 3, 4, 5, 6-Pentafluorobenzenesulfonyl choride | BP-2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F)F
• IUPAC Name: 2,3,4,5,6-pentafluorobenzenesulfonyl chloride
• InChIKey: UOJCTEGNHXRPKO-UHFFFAOYSA-N
• INCHI: 1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
• Isómeros SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F)F
• WGK Alemania: 3
• Peso molecular: 266.57
• Beilstein: 2142325
• Reaxy-Rn: 2142325
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2142325&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: Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organofluoride - 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: Moisture Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°F): 194 °F
• Punto de inflamación (°C): 90°C
• Punto de ebullición (°C): 210°C
• Peso molecular: 266.570 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 265.923 Da
• Monoisotopic Mass: 265.923 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 315.000
• 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. Hui Dong, Weitian Chen, Xiaoyu Lv, Yitong Jiang, Menghao Cheng, Aixin Chang, Yan Zhou, Tao Wang, Yintang Zhang, Zhaohui Li, Yanli Zhou, Maotian Xu.  (2025)  A Turn-On Fluorescent and Ratiometric Electrochemical Dual-Mode Probe for Hydrogen Peroxide Detection in Brain Microdialysates of Alzheimer’s Disease Mice.  ANALYTICAL CHEMISTRY,      [PMID:41343337] [10.1021/acs.analchem.5c05358]