1-(Methylsulfinyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(Methylsulfinyl)-4-nitrobenzene
• CAS No.: 940-12-5
• Molecular Formula: C7H7NO3S
• Molecular Weight: 185.203
• Hs Code.: 2930909090
• NSC Number: 202999
• Nikkaji Number: J380.974I
• ChEMBL ID: CHEMBL4435926
• Mol file: 940-12-5.mol

Synonyms:940-12-5;1-(Methylsulfinyl)-4-nitrobenzene;1-methylsulfinyl-4-nitrobenzene;1-METHANESULFINYL-4-NITROBENZENE;Methyl 4-nitrophenyl sulfoxide;methyl p-nitrophenyl sulfoxide;SCHEMBL514044;4-Nitrophenyl(methyl)sulfoxide;Sulfoxide, methyl p-nitrophenyl;CHEMBL4435926;NSC202999;1-(Methylsulfinyl)-4-nitrobenzene #;NSC-202999;(RS)-1-(methylsulfinyl)-4-nitrobenzene;(RS)-1-(methylsulphinyl)4-nitrobenzene;(RS)-1-(methylsulphinyl)-4-nitrobenzene;CS-0458852

Chemical Property of 1-(Methylsulfinyl)-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 149 °C
• Boiling Point: 372.7°C at 760 mmHg
• Flash Point: 179.2°C
• PSA: 82.10000
• Density: 1.43g/cm³
• LogP: 2.72110
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 185.01466426
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Methylsulfinyl)-4-nitrobenzene

There total 37 articles about 1-(Methylsulfinyl)-4-nitrobenzene 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%

1-methylthio-4-nitro-benzene (701-57-5) → p-nitrophenyl methyl sulfoxide (940-12-5)

Guidance literature:

With perpropionic acid; In ethanol; dichloromethane; at 20 ℃; for 24h;

DOI:10.1080/10426500490459740

Reference yield: 97.0%

1-methylthio-4-nitro-benzene (701-57-5) → (S)-methyl 4-nitrophenyl sulfoxide (940-12-5,56454-34-3,93222-06-1,112456-63-0) + (R)-methyl 4-nitrophenyl sulfoxide (940-12-5,56454-34-3,93222-06-1,112456-63-0)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; stereoselective reaction;

Reference yield: 97.0%

1-methylthio-4-nitro-benzene (701-57-5) → (S)-methyl 4-nitrophenyl sulfoxide (940-12-5,56454-34-3,93222-06-1,112456-63-0) + (R)-methyl 4-nitrophenyl sulfoxide (940-12-5,56454-34-3,93222-06-1,112456-63-0)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; stereoselective reaction;

upstream raw materials:

1-methylthio-4-nitro-benzene

1-nitro-4-trideuteriomethanesulfinyl-benzene

S-methyl-S-(4-nitrophenyl)sulfoximine

p-TolSO₂NO

Downstream raw materials:

1-methylthio-4-nitro-benzene

1-methanesulfonyl-4-nitrobenzene

(p-Nitrophenylsulfinyl)-chlormethan

4-nitrophenol sodium salt