3,4-Difluorophenyl Methyl Sulfone - ≥98% , CAS No.424792-57-4

CAS: 424792-57-4 Cat. No.: D135909 Formula: C₇H₆F₂O₂S Peso molecolare: 192.183 Numero EC: 674-385-4

GRADE & PURITY ≥98%

Synonyms

EN300-62332 | STL555517 | AM20060943 | FT-0676966 | BBL101720 | SCHEMBL646030 | 1,2-difluoro-4-(methanesufonyl)benzene | WMBJGJXMKCOHGG-UHFFFAOYSA-N | 1,2-Difluoro-4-(methylsulfonyl)benzene | 1,2-difluoro-4-(methylsulphonyl)benzene | BENZENE, 1,2-DIFLUORO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EN300-62332 | STL555517 | AM20060943 | FT-0676966 | BBL101720 | SCHEMBL646030 | 1,2-difluoro-4-(methanesufonyl)benzene | WMBJGJXMKCOHGG-UHFFFAOYSA-N | 1,2-Difluoro-4-(methylsulfonyl)benzene | 1,2-difluoro-4-(methylsulphonyl)benzene | BENZENE, 1,2-DIFLUORO

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504762082

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762082

Sorrisi canonici

CS(=O)(=O)C1=CC(=C(C=C1)F)F

IUPAC Name

1,2-difluoro-4-methylsulfonylbenzene

InChIKey

WMBJGJXMKCOHGG-UHFFFAOYSA-N

INCHI

1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3

Isomeri SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)F

Peso molecolare

192.183

Reaxy-Rn

12076676

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12076676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Fluorobenzenes Aryl fluorides Sulfones Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 77 °C
• Peso molecolare: 192.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.006 Da
• Monoisotopic Mass: 192.006 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 245.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 424792-57-4, the molecular formula is C7H6F2O2S, and the molecular weight is 192.183 g/mol. InChIKey WMBJGJXMKCOHGG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.