3-(Difluoromethoxy)benzenesulfonyl chloride - ≥97% , CAS No.351003-38-8

CAS: 351003-38-8 Cat. No.: D169793 Molecular Weight: 242.63 EC Number: 628-695-1

GRADE & PURITY ≥97%

Synonyms

3-(Difluoromethoxy)benzenesulfonyl chloride|351003-38-8|3-(Difluoromethoxy)benzene-1-sulfonyl chloride|3-(DIFLUOROMETHOXY)phenylsulfonyl CHLORIDE|SCHEMBL113409|DTXSID10380820|CK1142|MFCD03094157|STL215234|AKOS005136298|3-difluoromethoxybenzenesulfonylchlo

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

3-(Difluoromethoxy)benzenesulfonyl chloride | 351003-38-8 | 3-(Difluoromethoxy)benzene-1-sulfonyl chloride | 3-(DIFLUOROMETHOXY)phenylsulfonyl CHLORIDE | SCHEMBL113409 | DTXSID10380820 | CK1142 | MFCD03094157 | STL215234 | AKOS005136298 | 3-difluoromethoxybenzenesulfonylchlo

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762003
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762003
• Canonical Smiles: C1=CC(=CC(=C1)S(=O)(=O)Cl)OC(F)F
• IUPAC Name: 3-(difluoromethoxy)benzenesulfonyl chloride
• InChIKey: VKSMJFRQQMGYHS-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H
• Isomeric SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)OC(F)F
• WGK Germany: 3
• Molecular Weight: 242.63
• Reaxy-Rn: 11156940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11156940&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: Phenoxy compounds Phenol ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Phenoxy compound - Phenol ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: moisture sensitive
• Flash Point(°F): 206.6 °F
• Flash Point(°C): 97 °C
• Molecular Weight: 242.630 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 241.962 Da
• Monoisotopic Mass: 241.962 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 275.000
• 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