4-Chloro-2-nitrophenyl methyl sulfone

Base Information

• Chemical Name: 4-Chloro-2-nitrophenyl methyl sulfone
• CAS No.: 2163-97-5
• Molecular Formula: C7H6ClNO4S
• Molecular Weight: 235.648
• Hs Code.: 2904909090
• European Community (EC) Number: 218-496-4
• UNII: B2Z85JBZ7P
• DSSTox Substance ID: DTXSID9062227
• Nikkaji Number: J299.130F
• Wikidata: Q81989919
• Mol file: 2163-97-5.mol

Synonyms:2163-97-5;4-Chloro-2-nitrophenyl methyl sulfone;4-chloro-1-methanesulfonyl-2-nitrobenzene;4-chloro-1-(methylsulfonyl)-2-nitrobenzene;5-CHLORO-2-METHYLSULFONYLNITROBENZENE;4-chloro-1-methylsulfonyl-2-nitrobenzene;Benzene, 4-chloro-1-(methylsulfonyl)-2-nitro-;EINECS 218-496-4;B2Z85JBZ7P;SCHEMBL9012097;DTXSID9062227;MFCD09997080;4-Chloro-2-nitrophenylmethyl sulphone;AKOS015850368;Sulfone, 4-chloro-2-nitrophenyl methyl;LS-08169;(4-Chloro-2-nitrophenyl)(methyl) sulfone

Chemical Property of 4-Chloro-2-nitrophenyl methyl sulfone

Chemical Property:

• Vapor Pressure: 1.43E-06mmHg at 25°C
• Melting Point: 155-156 °C
• Boiling Point: 410.5°C at 760 mmHg
• Flash Point: 202°C
• PSA: 88.34000
• Density: 1.52g/cm³
• LogP: 3.25570
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.9706065
• Heavy Atom Count: 14
• Complexity: 318

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-methylsulfonylnitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-2-nitrophenyl methyl sulfone

There total 9 articles about 4-Chloro-2-nitrophenyl methyl sulfone 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:

(4-chloro-2-nitrophenyl)(methyl)sulfane (1889-57-2) → (4-chloro-2-nitro-phenyl)-methyl sulfone (2163-97-5)

Guidance literature:

With peracetic acid; In acetic acid;

DOI:10.1016/S0040-4020(01)93206-5

Reference yield:

4-chloro-2-nitro-phenyl thiocyanate (6803-43-6) → (4-chloro-2-nitro-phenyl)-methyl sulfone (2163-97-5)

Guidance literature:

Multi-step reaction with 2 steps

2: AcOOH / acetic acid

With peracetic acid; In acetic acid;

DOI:10.1016/S0040-4020(01)93206-5

Reference yield:

2-NO2-4-ClC6H3SCH2CO2CH3 → (4-chloro-2-nitro-phenyl)-methyl sulfone (2163-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KMnO₄ / acetic acid

2: aq. piperidine

With piperidine; potassium permanganate; In acetic acid;

DOI:10.1139/v67-162

upstream raw materials:

(4-chloro-2-nitro-benzenesulfonyl)-acetic acid

4-chloro-2-nitro-benzenesulfinic acid

methyl iodide

(4-chloro-2-nitrophenyl)(methyl)sulfane

Downstream raw materials:

5-Chlor-2-methylsulfonylanilin

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