Cas no 621-08-9 (Benzyl Sulfoxide)

Benzyl sulfoxide (C?H?CH?S(O)CH?) is an organosulfur compound characterized by its sulfinyl functional group attached to a benzyl moiety. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of sulfoxides and sulfones, which are valuable in pharmaceuticals and agrochemicals. The compound exhibits moderate polarity, enhancing its solubility in common organic solvents, and is stable under standard conditions. Its reactivity in asymmetric synthesis and catalytic transformations makes it useful for chiral auxiliary applications. Benzyl sulfoxide is also employed in oxidation reactions and as a ligand precursor in coordination chemistry. Proper handling is advised due to potential sensitivity to strong oxidizers.
Benzyl Sulfoxide structure
Benzyl Sulfoxide structure
Product Name:Benzyl Sulfoxide
CAS No:621-08-9
MF:C14H14OS
MW:230.325362682343
MDL:MFCD00004782
CID:39060
PubChem ID:87566757
Update Time:2025-11-07

Benzyl Sulfoxide Chemical and Physical Properties

Names and Identifiers

    • (Sulfinylbis(methylene))dibenzene
    • Dibenzylsulfoxide
    • benzylsulfinylmethylbenzene
    • Benzyl sulfoxide
    • Dibenzyl sulfoxide
    • Tardiol D
    • Sulfoxide, dibenzyl
    • Dibenzyl sulphoxide
    • Bis(phenylmethyl) sulfoxide
    • Benzene, 1,1'-[sulfinylbis(methylene)]bis-
    • Benzyl sulfoxide (6CI,8CI)
    • MLS002637483
    • HTMQZWFSTJVJEQ-UHFFFAOYSA-N
    • (phenylmethanesulfinylmethyl)benzene
    • BENZENE, 1,1'-(SULFINYLBIS(METHYLENE))BIS-
    • 1,1'-(sulfinyldimethanediyl)dib
    • 1,1’-(sulfinylbis(methylene))bis-benzen
    • DIBENZYL SULFOXIDE 95%
    • Benzene, 1,1-sulfinylbis(methylene)bis-
    • sulfinylbis(methylene)dibenzene
    • Benzyl sulfoxide, 98+%
    • DIBENZYL SULFOXIDE FOR SYNTHESIS
    • (Sulfinylbis(methylene)
    • [(Benzylsulfinyl)methyl]benzene
    • 621-08-9
    • 4-06-00-02651 (Beilstein Handbook Reference)
    • SY050947
    • Dibenzylsulfoxyd
    • NSC-55
    • 554PDF1275
    • SMR001547021
    • D95355
    • 1,1'-(sulfinyldimethanediyl)dibenzene
    • EINECS 210-668-7
    • Benzene,1'-[sulfinylbis(methylene)]bis-
    • SULFOXIDE,DIBENZYL
    • BRN 2049262
    • 1,1'-[sulfinylbis(methylene)]dibenzene
    • NS00020009
    • Z316995896
    • Benzyl sulphoxide
    • AC-16487
    • Preventol CI 5
    • 1,1'-[sulfinylbis(methylene)]bis-benzene
    • InChI=1/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H
    • DTXSID8022088
    • WLN: R1SO&1R
    • CS-0204274
    • Q5805477
    • A833587
    • AS-61321
    • SCHEMBL340372
    • benzylsulfinyl-methyl-benzene
    • NSC 55
    • CHEMBL190496
    • (phenylmethyl)sulfinylmethylbenzene
    • 1,1'-(SULFINYLBIS(METHYLENE))BIS(BENZENE)
    • AI3-62190
    • AKOS004907768
    • D0001
    • NCGC00246832-01
    • NSC55
    • AE-641/05560032
    • [(Benzylsulfinyl)methyl]benzene #
    • BDBM22781
    • MFCD00004782
    • [(phenylmethane)sulfinylmethyl]benzene
    • UNII-554PDF1275
    • FT-0624664
    • DTXCID802088
    • 1,1'-(sulfinylbis(methylene))dibenzene
    • Dibenzylsulphoxide
    • FB01395
    • Benzyl Sulfoxide
    • MDL: MFCD00004782
    • Inchi: 1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
    • InChI Key: HTMQZWFSTJVJEQ-UHFFFAOYSA-N
    • SMILES: S(CC1C=CC=CC=1)(CC1C=CC=CC=1)=O
    • BRN: 2049262

Computed Properties

  • Exact Mass: 230.07700
  • Monoisotopic Mass: 230.076536
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 36.3

Experimental Properties

  • Color/Form: Foliar crystals
  • Density: 1.1421 (rough estimate)
  • Melting Point: 133.0 to 136.0 deg-C
  • Boiling Point: 342.33°C (rough estimate)
  • Flash Point: 222.007 °C
  • Refractive Index: 1.5700 (estimate)
  • PH: 6.0-6.5 (0.3g/l, H2O, 20℃)
  • Solubility: 0.3g/l
  • PSA: 36.28000
  • LogP: 4.00120
  • Solubility: Soluble in alcohol, ether and hot water; Insoluble in cold water

Benzyl Sulfoxide Security Information

Benzyl Sulfoxide Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Benzyl Sulfoxide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:621-08-9)Benzyl Sulfoxide
Order Number:A1206107
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 03:43
Price ($):292.0

Additional information on Benzyl Sulfoxide

Benzyl Sulfoxide (CAS No. 621-08-9): A Comprehensive Overview

Benzyl Sulfoxide, with the chemical formula C7H8O2 and CAS number 621-08-9, is a versatile organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its sulfoxide functional group, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various bioactive molecules. The increasing interest in Benzyl Sulfoxide stems from its role in the development of novel therapeutic agents and advanced materials, reflecting its broad applicability across multiple scientific domains.

The structure of Benzyl Sulfoxide consists of a benzyl group attached to a sulfoxide moiety. This structural feature imparts both lipophilicity and oxygen-rich characteristics, making it an attractive candidate for drug design. The sulfoxide group is particularly noteworthy, as it can participate in various chemical reactions, including nucleophilic substitution and metal coordination, which are pivotal in medicinal chemistry. These reactivities have positioned Benzyl Sulfoxide as a key building block in the synthesis of complex molecules.

In recent years, the pharmaceutical industry has seen a surge in the exploration of sulfoxides as pharmacophores due to their ability to modulate biological pathways effectively. For instance, studies have demonstrated that sulfoxides can enhance the bioavailability of drugs by improving their solubility and metabolic stability. This has led to the investigation of Benzyl Sulfoxide as a potential scaffold for developing new therapeutic agents targeting various diseases, including cancer and inflammatory disorders.

One of the most compelling applications of Benzyl Sulfoxide is in the field of oncology. Researchers have identified that derivatives of this compound exhibit inhibitory effects on enzymes involved in tumor growth and progression. Specifically, studies have shown that certain sulfoxides can interfere with the activity of kinases and other signaling molecules critical for cancer cell survival. These findings have prompted further investigation into the development of Benzyl Sulfoxide-based inhibitors as novel chemotherapeutic agents.

The role of Benzyl Sulfoxide extends beyond pharmaceuticals into materials science. Its unique electronic properties make it suitable for use in organic electronics, where it can serve as a component in conductive polymers and organic semiconductors. Additionally, its ability to form stable complexes with transition metals has opened up possibilities for its use in catalysis and material functionalization.

The synthesis of Benzyl Sulfoxide typically involves the oxidation of benzyl sulfides using appropriate oxidizing agents such as hydrogen peroxide or meta-chloroperoxybenzoic acid (mCPBA). These reactions are well-documented and have been optimized for high yields and purity, making Benzyl Sulfoxide readily accessible for industrial applications. The ease of synthesis combined with its versatile reactivity ensures that it remains a cornerstone in synthetic chemistry.

In conclusion, Benzyl Sulfoxide (CAS No. 621-08-9) is a multifaceted compound with significant implications across pharmaceuticals and materials science. Its unique structural features and chemical properties have positioned it as a crucial intermediate in drug development and advanced material creation. As research continues to uncover new applications for this compound, its importance is only set to grow, solidifying its place as a vital component in modern chemical research.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:621-08-9)Benzyl Sulfoxide
A1206107
Purity:99%
Quantity:500g
Price ($):292.0
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