{bicyclo[2.2.2]octan-1-yl}methanesulfonyl chloride - ≥97% , CAS No.1803596-85-1

CAS: 1803596-85-1 Cat. No.: M630569 Peso molecular: 222.73 Número EC: 963-421-7 PubChem CID: 119032097

GRADE & PURITY ≥97%

Synonyms

SY204109 | Bicyclo[2.2.2]octane-1-methanesulfonyl chloride | 1803596-85-1 | (Bicyclo[2.2.2]octan-1-yl)methanesulfonyl chloride | EN300-222752 | 1-bicyclo[2.2.2]octanylmethanesulfonyl chloride | PS-17901 | BICYCLO[2.2.2]OCTAN-1-YLMETHANESULFONYL CHLORIDE |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY204109 | Bicyclo[2.2.2]octane-1-methanesulfonyl chloride | 1803596-85-1 | (Bicyclo[2.2.2]octan-1-yl)methanesulfonyl chloride | EN300-222752 | 1-bicyclo[2.2.2]octanylmethanesulfonyl chloride | PS-17901 | BICYCLO[2.2.2]OCTAN-1-YLMETHANESULFONYL CHLORIDE |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC2(CCC1CC2)CS(=O)(=O)Cl
• IUPAC Name: 1-bicyclo[2.2.2]octanylmethanesulfonyl chloride
• InChIKey: WFNMTXBKSKVCOM-UHFFFAOYSA-N
• INCHI: 1S/C9H15ClO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
• Isómeros SMILES: C1CC2(CCC1CC2)CS(=O)(=O)Cl
• CAS alternativo: 1803596-85-1
• PubChem CID: 119032097
• Peso molecular: 222.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine 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

Propiedades químicas y físicas

• Peso molecular: 222.730 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.048 Da
• Monoisotopic Mass: 222.048 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 269.000
• 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