4-Fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride - ≥98%(GC) , CAS No.176225-09-5

CAS: 176225-09-5 Cat. No.: F156586 Peso molecular: 262.6 Número EC: 679-241-4

GRADE & PURITY ≥98%(GC)

Synonyms

A812162 | SY106796 | FT-0678385 | 4-fluoro-2-trifluoromethyl-benzenesulfonyl chloride | CK1140 | 4-fluoro-2-(trifluoromethyl)benzene-1-sulfonyl chloride | STL556271 | SCHEMBL695151 | 4-fluoro-2-trifluoromethyl-benzene sulfonyl chloride | EN300-68770 | AKO

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

A812162 | SY106796 | FT-0678385 | 4-fluoro-2-trifluoromethyl-benzenesulfonyl chloride | CK1140 | 4-fluoro-2-(trifluoromethyl)benzene-1-sulfonyl chloride | STL556271 | SCHEMBL695151 | 4-fluoro-2-trifluoromethyl-benzene sulfonyl chloride | EN300-68770 | AKO

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504761383
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761383
• Sonrisas canónicas: C1=CC(=C(C=C1F)C(F)(F)F)S(=O)(=O)Cl
• IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
• InChIKey: IGMYEVQPXWKFQF-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1F)C(F)(F)F)S(=O)(=O)Cl
• WGK Alemania: 3
• Peso molecular: 262.6
• Reaxy-Rn: 15519744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15519744&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 Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzenesulfonyl chloride - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organofluoride - 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 76 °C/0.5 mmHg
• Punto de fusión (°C): 48.0-52.0℃
• Peso molecular: 262.610 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 261.948 Da
• Monoisotopic Mass: 261.948 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 321.000
• 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