2-Methoxy-5-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 2-Methoxy-5-nitrobenzenesulfonyl chloride
• CAS No.: 81118-92-5
• Molecular Formula: C7H6 Cl N O5 S
• Molecular Weight: 251.647
• Hs Code.: 2909309090
• European Community (EC) Number: 817-442-2
• DSSTox Substance ID: DTXSID00496808
• Wikidata: Q82345930
• Mol file: 81118-92-5.mol

Synonyms:81118-92-5;2-methoxy-5-nitrobenzenesulfonyl chloride;Benzenesulfonylchloride, 2-methoxy-5-nitro-;2-methoxy-5-nitrobenzene-1-sulfonyl chloride;MFCD07343894;2-Methoxy-5-nitro-benzenesulfonyl chloride;2-Methoxy-5-nitrobenzenesulfonylchloride;SCHEMBL3071086;DTXSID00496808;DSSUHBJSDMHACJ-UHFFFAOYSA-N;AKOS000118224;BS-13996;SY152333;2-methoxy-5-nitrobenzene-1-sulfonylchloride;CS-0234672;2-(methyloxy)-5-nitrobenzenesulfonyl chloride;EN300-14542;E78270;J-509833;2-methoxy-5-nitrobenzenesulfonyl chloride, AldrichCPR;Z99598964

Chemical Property of 2-Methoxy-5-nitrobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 407.232°C at 760 mmHg
• Flash Point: 200.087°C
• PSA: 97.57000
• Density: 1.554g/cm³
• LogP: 3.13490
• XLogP3: 2.2
• 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:

97% ^*data from raw suppliers

2-Methoxy-5-nitrobenzene-1-sulfonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-5-nitrobenzenesulfonyl chloride

There total 4 articles about 2-Methoxy-5-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: 74.0%

sodium 2-methoxy-5-nitrobenzenesulfonate → 2-methoxy-5-nitrobenzene-1-sulfonyl chloride (81118-92-5)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 - 90 ℃; for 2h;

Reference yield: 17.5%

para-methoxynitrobenzene (100-17-4) → 2-methoxy-5-nitrobenzene-1-sulfonyl chloride (81118-92-5)

Guidance literature:

With chlorosulfonic acid; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 2h; Reflux;

Reference yield:

→ 2-methoxy-5-nitrobenzene-1-sulfonyl chloride (81118-92-5)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

para-methoxynitrobenzene

Downstream raw materials:

N'-((5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylene)-2-methoxy-N-methyl-5-nitrobenzenesulfonohydrazide

1,1-dimethylethyl (3R)-3-({[2-(methyloxy)-5-nitrophenyl]sulfonyl}amino)-1-pyrrolidinecarboxylate

C₂₂H₂₈N₄O₈S₂