2-Methoxy-4-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 2-Methoxy-4-nitrobenzenesulfonyl chloride
• CAS No.: 21320-91-2
• Molecular Formula: C7H6ClNO5S
• Molecular Weight: 251.647
• Hs Code.: 29049090
• European Community (EC) Number: 627-635-1
• NSC Number: 211731
• DSSTox Substance ID: DTXSID10309319
• Wikidata: Q72517204
• Mol file: 21320-91-2.mol

Synonyms:2-Methoxy-4-nitrobenzenesulfonyl chloride;21320-91-2;2-Methoxy-4-nitrobenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 2-methoxy-4-nitro-;MFCD03094697;2-Methoxy-4-nitrophenylsulfonyl chloride;2-methoxy-4-nitrobenzenesulfonylchloride;NSC211731;2-Methoxy-4-nitrobenzensulfonyl chloride;2-Methoxy-4-nitrobenzene-1-sulfonylchloride;SCHEMBL282513;DTXSID10309319;BBL100390;STL554184;AKOS005206969;NSC 211731;NSC-211731;2-methoxy-4 nitrobenzenesulfonyl chloride;AS-15730;2-methoxy-4-nitro-benzenesulfonyl chloride;2-methoxy-4-nitrobenzenesulphonyl chloride;4-nitro-2- methoxybenzenesulfonyl chloride;4-nitro-2-methoxybenzenesulphonyl chloride;CS-0020112;FT-0638110;M2403;EN300-39604;2-Methoxy-4-nitrobenzenesulfonyl chloride, 96%;A815270;J-013992

Chemical Property of 2-Methoxy-4-nitrobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: Yellow to brown crystalline powder
• Vapor Pressure: 1.89E-06mmHg at 25°C
• Melting Point: 90-95 °C(lit.)
• Refractive Index: 1.565
• Boiling Point: 406.597 °C at 760 mmHg
• Flash Point: 199.703 °C
• PSA: 97.57000
• Density: 1.554 g/cm³
• LogP: 3.13490
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 250.9655212
• Heavy Atom Count: 15
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-4-nitrobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-29-14
• Safety Statements: 26-36/37/39-45-8

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)Cl

Technology Process of 2-Methoxy-4-nitrobenzenesulfonyl chloride

There total 2 articles about 2-Methoxy-4-nitrobenzenesulfonyl chloride 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:

benzyl(2-methoxy-4-nitrophenyl)sulfane (100867-00-3) → 2-methoxy-4-nitrobenzene-1-sulfonyl chloride (21320-91-2)

Guidance literature:

With water; chlorine; acetic acid; at 0 ℃; for 0.5h;

Reference yield:

→ 2-methoxy-4-nitrobenzene-1-sulfonyl chloride (21320-91-2)

Guidance literature:

2-Methoxy-4-nitroanilin, 1. HNO3, 2. SO2, HCl;

Reference yield: 94.0%

2-methoxy-4-nitrobenzene-1-sulfonyl chloride (21320-91-2) + ethanolamine (141-43-5) → 2-(2-methoxy-4-nitrophenylsulfonylamino)ethanol (86919-14-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.02.071

upstream raw materials:

benzyl(2-methoxy-4-nitrophenyl)sulfane

Downstream raw materials:

2-Methoxy-4-nitro-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzenesulfonamide

C₁₉H₂₄N₄O₈S₂

C₂₀H₂₆N₄O₈S₂

C₂₂H₂₈N₄O₈S₂