3,5-Dichlorophenyl methyl sulphone - ≥98% , CAS No.22821-89-2

CAS: 22821-89-2 Cat. No.: D182991 Formula: C₇H₆Cl₂O₂S Peso molecolare: 225.1 Numero EC: 245-250-3

GRADE & PURITY ≥98%

Synonyms

3,5-dichlorophenyl methyl sulphone|22821-89-2|1,3-Dichloro-5-(methylsulfonyl)benzene|1,3-dichloro-5-methylsulfonylbenzene|3,5-Dichlorophenyl methyl sulfone|Benzene, 1,3-dichloro-5-(methylsulfonyl)-|1,3-Dichloro-5-(methylsulphonyl)benzene|MFCD00068893|3,5-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3,5-dichlorophenyl methyl sulphone | 22821-89-2 | 1,3-Dichloro-5-(methylsulfonyl)benzene | 1,3-dichloro-5-methylsulfonylbenzene | 3,5-Dichlorophenyl methyl sulfone | Benzene, 1,3-dichloro-5-(methylsulfonyl)- | 1,3-Dichloro-5-(methylsulphonyl)benzene | MFCD00068893 | 3,5-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl

IUPAC Name

1,3-dichloro-5-methylsulfonylbenzene

InChIKey

QIYHQTUAQZMJGS-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2O2S/c1-12(10,11)7-3-5(8)2-6(9)4-7/h2-4H,1H3

Isomeri SMILES

CS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl

Peso molecolare

225.1

Reaxy-Rn

3049253

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3049253&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: Dichlorobenzenes Aryl chlorides Sulfones Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - 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

• Peso molecolare: 225.090 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.947 Da
• Monoisotopic Mass: 223.947 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 235.000
• 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