4-Chloro-3-nitrophenyl methyl sulfone

Base Information

• Chemical Name: 4-Chloro-3-nitrophenyl methyl sulfone
• CAS No.: 97-07-4
• Molecular Formula: C7H6ClNO4S
• Molecular Weight: 235.648
• Hs Code.: 2904909090
• European Community (EC) Number: 202-557-7
• NSC Number: 25818
• UNII: 2CL5F050J7
• DSSTox Substance ID: DTXSID7059147
• Nikkaji Number: J29.528K
• Wikidata: Q27894519
• Mol file: 97-07-4.mol

Synonyms:97-07-4;4-Chloro-3-nitrophenyl methyl sulfone;1-chloro-4-(methylsulfonyl)-2-nitrobenzene;3-Nitro-4-chloro phenyl methyl sulfone;Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-;1-chloro-4-methylsulfonyl-2-nitrobenzene;1-Chloro-4-(methylsulphonyl)-2-nitrobenzene;3-Nitro-4-chlorophenyl methyl sulfone;1-Chloro-4-methanesulfonyl-2-nitro-benzene;2-nitro-4-methylsulfonylchlorobenzene;(4-Chloro-3-nitrophenyl) methyl sulfone;1-chloro-4-methanesulfonyl-2-nitrobenzene;2CL5F050J7;EINECS 202-557-7;2-chloro-5-methylsulfonylnitrobenzene;NSC 25818;NSC-25818;Sulfone, 4-chloro-3-nitrophenyl methyl;NSC25818;UNII-2CL5F050J7;2-MORPHOLINOPYRIDINE96;SCHEMBL1097803;DTXSID7059147;AMY3553;MFCD00039754;STL356763;2-chloro-5-methylsulphonylnitrobenzene;4-chloro-3-nitrophenyl-methyl sulfone;AKOS000115071;AC-4576;CS-W010324;2-Chloro-5-(methylsulfonyl)nitrobenzene;AS-13446;1-chlor-4-(methylsulfonyl)-2-nitrobenzen;3-NITRO-4-CHLORO phenylmethyl SULFONE;C2759;FT-0618094;1-chloranyl-4-methylsulfonyl-2-nitro-benzene;EN300-01530;4-(METHYLSULFONYL)-2-NITROCHLOROBENZENE;A845679;2-CHLORO-5-(METHYLSULFONYL)-1-NITROBENZENE;W-100119;Q27894519;Z56755841;(4-chloro-3-nitrophenyl)(methyl)dioxo-lambda~6~-sulfane

Chemical Property of 4-Chloro-3-nitrophenyl methyl sulfone

Chemical Property:

• Vapor Pressure: 1.09E-06mmHg at 25°C
• Melting Point: 125-129 ºC
• Refractive Index: 1.572
• Boiling Point: 414.179 °C at 760 mmHg
• Flash Point: 204.288 °C
• PSA: 88.34000
• Density: 1.52 g/cm³
• LogP: 3.25570
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• 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:

99.9% ^*data from raw suppliers

1-Chloro-4-(methylsulfonyl)-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chloro-3-nitrophenyl methyl sulfone

There total 3 articles about 4-Chloro-3-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: 99.7%

4-chlorophenyl methyl sulfone (98-57-7) → 1-chloro-4-methanesulfonyl-2-nitrobenzene (97-07-4)

Guidance literature:

With sulfuric acid; nitric acid; at 25 ℃; for 2h;

Reference yield:

4-chlorobenzenesulfonyl chloride (98-60-2) → 1-chloro-4-methanesulfonyl-2-nitrobenzene (97-07-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium sulfite; sodium hydrogencarbonate / water / 4 h / 75 °C

1.2: 15 h / 105 - 107 °C

2.1: sulfuric acid; nitric acid / 2 h / 25 °C

With sulfuric acid; nitric acid; sodium hydrogencarbonate; sodium sulfite; In water;

Reference yield:

→ 1-chloro-4-methanesulfonyl-2-nitrobenzene (97-07-4)

Guidance literature:

entspr. Sulfon, KNO3/H2SO4 (Nitrier.), S.142;

upstream raw materials:

4-chlorophenyl methyl sulfone

4-chlorobenzenesulfonyl chloride

Downstream raw materials:

4-methanesulfonyl-1-methoxy-2-nitro-benzene

1-ethoxy-4-methanesulfonyl-2-nitro-benzene

1-fluoro-4-methanesulfonyl-2-nitrobenzene

bis-(4-methanesulfonyl-2-nitro-phenyl)-sulfide

Refernces

• 1、 -. "Preparation method of 2-(methyl sulphonyl)-10H-phenothiazine". Paragraph 0031; 0032; 0033. . Retrieved 2017/02/02.