2-Bromoethyl Methyl Sulfone - ≥97% , CAS No.16523-02-7

CAS: 16523-02-7 Cat. No.: B587566 Molecular Weight: 187.06 EC Number: 815-423-3

GRADE & PURITY ≥97%

Synonyms

AC1299 | 1-bromo-2-methylsulfonylethane | AMY20175 | AKOS013333948 | NIEGKADUBXVLHF-UHFFFAOYSA-N | 1-bromo-2-methanesulfonylethane | MFCD08274926 | 2-Bromoethyl Methyl Sulfone | 2-BROMOETYL-METHYLSULFONE | 2-Methylsulfonylethyl bromide | 1-bromo-2-(methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AC1299 | 1-bromo-2-methylsulfonylethane | AMY20175 | AKOS013333948 | NIEGKADUBXVLHF-UHFFFAOYSA-N | 1-bromo-2-methanesulfonylethane | MFCD08274926 | 2-Bromoethyl Methyl Sulfone | 2-BROMOETYL-METHYLSULFONE | 2-Methylsulfonylethyl bromide | 1-bromo-2-(methyl

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)CCBr
• IUPAC Name: 1-bromo-2-methylsulfonylethane
• InChIKey: NIEGKADUBXVLHF-UHFFFAOYSA-N
• INCHI: 1S/C3H7BrO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
• Isomeric SMILES: CS(=O)(=O)CCBr
• Molecular Weight: 187.06
• Reaxy-Rn: 1816242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1816242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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

• Molecular Weight: 187.060 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.935 Da
• Monoisotopic Mass: 185.935 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 120.000
• 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