4-(Trifluoromethyl)benzylsulfonyl chloride - ≥97% , CAS No.163295-75-8

CAS: 163295-75-8 Cat. No.: T167733 Peso molecular: 258.65 Número EC: 623-880-3

GRADE & PURITY ≥97%

Synonyms

[[4-(trifluoromethyl)phenyl]methyl]sulfonyl chloride | {[4-(TRIFLUOROMETHYL)PHENYL]METHYLSULFONYL CHLORIDE | 4-(trifluoromethyl)benzylsulfonyl chloride | AB09408 | Benzenemethanesulfonyl chloride, 4-(trifluoromethyl)- | (4-(Trifluoromethyl)phenyl)methanes

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

[[4-(trifluoromethyl)phenyl]methyl]sulfonyl chloride | {[4-(TRIFLUOROMETHYL)PHENYL]METHYLSULFONYL CHLORIDE | 4-(trifluoromethyl)benzylsulfonyl chloride | AB09408 | Benzenemethanesulfonyl chloride, 4-(trifluoromethyl)- | (4-(Trifluoromethyl)phenyl)methanes

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759426
• Sonrisas canónicas: C1=CC(=CC=C1CS(=O)(=O)Cl)C(F)(F)F
• IUPAC Name: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride
• InChIKey: KKBNUPMMAGEQAT-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
• Isómeros SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)C(F)(F)F
• WGK Alemania: 3
• Número ONU: 3261
• Grupo de embalaje: III
• Peso molecular: 258.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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.
• Punto de fusión (°C): 103-107°C
• Peso molecular: 258.649 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 257.973 Da
• Monoisotopic Mass: 257.973 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 299.000
• 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