p-Chlorophenyl methyl sulfoxide

Base Information

• Chemical Name: p-Chlorophenyl methyl sulfoxide
• CAS No.: 934-73-6
• Deprecated CAS: 56487-58-2
• Molecular Formula: C7H7 Cl O S
• Molecular Weight: 174.651
• Hs Code.: 29349990
• European Community (EC) Number: 804-573-5
• NSC Number: 525727
• UNII: 6MHM4Y0Y72
• DSSTox Substance ID: DTXSID8023975
• Nikkaji Number: J90.684K
• Wikidata: Q27896896
• Mol file: 934-73-6.mol

Synonyms:p-Chlorophenyl methyl sulfoxide;934-73-6;1-Chloro-4-(methylsulfinyl)benzene;4-Chlorophenyl methyl sulfoxide;1-chloro-4-methylsulfinylbenzene;Benzene, 1-chloro-4-(methylsulfinyl)-;Methyl 4-chlorophenyl sulfoxide;1-chloro-4-methanesulfinylbenzene;CCRIS 6732;Sulfoxide, p-chlorophenyl methyl;NSC 525727;BRN 2041795;6MHM4Y0Y72;NSC-525727;4-Chlorophenyl methyl sulfoxide, (+/-)-;4-Chlorophenylmethylsulfoxide;UNII-6MHM4Y0Y72;SCHEMBL196857;DTXSID8023975;Methyl (4-chlorophenyl) sulfoxide;NSC525727;AKOS006283704;METHYL P-CHLOROPHENYL SULFOXIDE;(+/-)-4-chlorophenyl methyl sulfoxide;BS-29632;LS-148129;CS-0208117;FT-0688930;EN300-705687;F81492;A922712;J-523871;Q27896896

Chemical Property of p-Chlorophenyl methyl sulfoxide

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Melting Point: 47-48 °C
• Boiling Point: 300.5°Cat760mmHg
• Flash Point: 135.5°C
• PSA: 36.28000
• Density: 1.36g/cm³
• LogP: 2.94310
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.9906137
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

4-Chlorophenylmethylsulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34-41
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C1=CC=C(C=C1)Cl

Technology Process of p-Chlorophenyl methyl sulfoxide

There total 42 articles about p-Chlorophenyl methyl sulfoxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-chlorophenyl methyl sulfide (123-09-1) → methyl 4-chlorophenyl sulfoxide (934-73-6)

Guidance literature:

With 2-iodyl-3-propoxypyridine; In acetonitrile; for 2.5h; chemoselective reaction; Reflux; Inert atmosphere;

DOI:10.1021/jo200163m

Reference yield: 93.0%

4-chlorophenyl methyl sulfide (123-09-1) → methyl 4-chlorophenyl sulfoxide (934-73-6) + 4-chlorophenyl methyl sulfone (98-57-7)

Guidance literature:

With sodium hypochlorite pentahydrate; In water; acetonitrile; at 20 ℃; for 0.183333h; Green chemistry;

DOI:10.1055/s-0035-1560482

Reference yield: 91.0%

4-chlorophenyl methyl sulfide (123-09-1) → (S)-4-chlorophenyl methyl sulfoxide (934-73-6,28227-63-6,56487-58-2,112456-62-9)

Guidance literature:

With titanium(IV) isopropylate; Cumene hydroperoxide; (R,R)-CH₃(CH₂)6OOCCH(OH)CH(OH)COO-polyethylene glycol-OMe; In dichloromethane; at -20 ℃; for 16h;

DOI:10.1016/j.tetlet.2007.09.169

upstream raw materials:

4-chlorophenyl methyl sulfide

isoaalloxazine hydroperoxide

N-chloro-4-methylbenzenesulfonamide

1-bromomethylsulfinyl-4-chlorobenzene

Downstream raw materials:

5-(4-Chlor-phenyl>-5-methyl-N-propylcarbamoylsulfoximin

diisopropyl sulfoxide

4-chlorophenyl methyl sulfide

butyl sulfoxide