3-Bromophenyl Methyl Sulfone - ≥98%(HPLC) , CAS No.34896-80-5

CAS: 34896-80-5 Cat. No.: B152555 Summenformel: C₇H₇BrO₂S Molekulargewicht: 235.1 EG-Nummer: 639-429-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

J-512122 | 3-Bromo phenyl methyl sulfone | AC-10776 | EN300-88840 | 1-bromo-3-mesylbenzene | 1-bromo-3-methylsulfonylbenzene | 1-bromo-3-methylsulfonyl-benzene | 1-bromo-3-methanesulfonylbenzene | 1-bromo-3-methanesulfonyl-benzene | 3-bromo-methanesulfony

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

J-512122 | 3-Bromo phenyl methyl sulfone | AC-10776 | EN300-88840 | 1-bromo-3-mesylbenzene | 1-bromo-3-methylsulfonylbenzene | 1-bromo-3-methylsulfonyl-benzene | 1-bromo-3-methanesulfonylbenzene | 1-bromo-3-methanesulfonyl-benzene | 3-bromo-methanesulfony

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488193053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193053
• Kanonisches Lächeln: CS(=O)(=O)C1=CC(=CC=C1)Br
• IUPAC Name: 1-bromo-3-methylsulfonylbenzene
• InChIKey: WBOMXUMQOVQNKT-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
• Isomere SMILES: CS(=O)(=O)C1=CC(=CC=C1)Br
• Molekulargewicht: 235.1
• Reaxy-Rn: 1943611
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943611&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Bromobenzenes Aryl bromides Sulfones Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 103-107℃
• Molekulargewicht: 235.100 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.935 Da
• Monoisotopic Mass: 233.935 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 217.000
• 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

Referenzen

1. Xiaomeng Deng, Wensheng Wei, Zizhen Yan, Zhanguo Zhang, Yuxin Wang, Guangwen Xu, Jianjun Guo, Jinggang Zhao, Lei Shi.  (2024)  Product as additive for facilitating CO2 conversion into cyclic carbonate.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2024.102850]