2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride - ≥97% , CAS No.54090-08-3

CAS: 54090-08-3 Cat. No.: C130143 Peso molecular: 279.07 Número EC: 670-845-3

GRADE & PURITY ≥97%

Synonyms

2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride, AldrichCPR | 2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride | AKOS001044540 | 2-chloro-5-(trifluoromethyl)- benzenesulfonyl chloride | 2-chloro-5-(trifluoromethyl)benzenesulphonylchloride | DTXSI

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride, AldrichCPR | 2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride | AKOS001044540 | 2-chloro-5-(trifluoromethyl)- benzenesulfonyl chloride | 2-chloro-5-(trifluoromethyl)benzenesulphonylchloride | DTXSI

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761100
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761100
• Sonrisas canónicas: C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl
• IUPAC Name: 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
• InChIKey: ZEYKLMDPUOVUCR-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl
• Peso molecular: 279.07
• Reaxy-Rn: 3058419
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3058419&ln=

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: Benzenesulfonyl chlorides Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzenesulfonyl chloride - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Alkyl halide - Organic oxygen compound - Organic oxide - 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

• Punto de ebullición (°C): 117-119°C/1.0mm
• Peso molecular: 279.060 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 277.918 Da
• Monoisotopic Mass: 277.918 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 322.000
• 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