Diphenyl(methyl)sulfonium Tetrafluoroborate - ≥95% , CAS No.10504-60-6

CAS: 10504-60-6 Cat. No.: D155602 Molecular Weight: 288.11 EC Number: 234-032-3 PubChem CID: 2758717

GRADE & PURITY ≥95%

Synonyms

SY108932 | Methyldiphenylsulphonium tetrafluoroborate(1-) | LHAMVDBAOJCBDW-UHFFFAOYSA-N | SCHEMBL283734 | EINECS 234-032-3 | EN300-7424499 | Diphenyl(methyl)sulphonium tetrafluoroborate | Methyldiphenylsulfonium Tetrafluoroborate | Diphenyl(methyl)sulfoni

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SY108932 | Methyldiphenylsulphonium tetrafluoroborate(1-) | LHAMVDBAOJCBDW-UHFFFAOYSA-N | SCHEMBL283734 | EINECS 234-032-3 | EN300-7424499 | Diphenyl(methyl)sulphonium tetrafluoroborate | Methyldiphenylsulfonium Tetrafluoroborate | Diphenyl(methyl)sulfoni

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193104
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193104
• Canonical Smiles: [B-](F)(F)(F)F.C[S+](C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: methyl(diphenyl)sulfanium;tetrafluoroborate
• InChIKey: LHAMVDBAOJCBDW-UHFFFAOYSA-N
• INCHI: 1S/C13H13S.BF4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C[S+](C1=CC=CC=C1)C2=CC=CC=C2
• PubChem CID: 2758717
• Molecular Weight: 288.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic metalloid salts Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Solubility: Soluble in water, alcohol.
• Melt Point(°C): 66 °C
• Molecular Weight: 288.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 288.077 Da
• Monoisotopic Mass: 288.077 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 156.000
• 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: 2

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