4-Bromophenyl methanesulfonate - ≥95% , CAS No.68574-35-6

CAS: 68574-35-6 Cat. No.: B1046074 Fórmula: C₇H₇BrO₃S Peso molecular: 251.100 Número CE: 861-444-6

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CS(=O)(=O)OC1=CC=C(C=C1)Br

IUPAC Name

(4-bromophenyl) methanesulfonate

InChIKey

PJWZKEHXEQWESI-UHFFFAOYSA-N

INCHI

1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3

Peso molecular

251.100

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Bromobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl bromides Sulfonyls Methanesulfonates Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Methanesulfonate - Organosulfonic acid or derivatives - Sulfonyl - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

Propriedades químicas e físicas

• Peso molecular: 251.100 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.93 Da
• Monoisotopic Mass: 249.93 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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

Perguntas frequentes

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

The CAS Number is 68574-35-6, the molecular formula is C7H7BrO3S, and the molecular weight is 251.100 g/mol. InChIKey PJWZKEHXEQWESI-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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.