Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-

Base Information

• Chemical Name: Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-
• CAS No.: 68631-04-9
• Molecular Formula: C8H8 Cl N O4 S
• Molecular Weight: 249.675
• Hs Code.: 2904909090
• European Community (EC) Number: 271-932-5
• DSSTox Substance ID: DTXSID5071705
• Nikkaji Number: J332.571G
• Wikidata: Q81999457
• Mol file: 68631-04-9.mol

Synonyms:68631-04-9;2,3-Dimethyl-5-nitrobenzenesulfonyl chloride;Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-;Benzenesulfonylchloride, 2,3-dimethyl-5-nitro-;2,3-dimethyl-5-nitrobenzene-1-sulfonyl chloride;2,3-dimethyl-5-nitrobenzene-1-sulphonylchloride;EINECS 271-932-5;2,3-Dimethyl-5-nitrobenzene-1-sulphonyl chloride;2,3-Dimethyl-5-nitrophenylsulfonyl chloride;2,3-dimethyl-5-nitro-benzenesulfonyl chloride;DTXSID5071705;MFCD08271784;AKOS008063143;FT-0729811;EN300-15175;2,3-Dimethyl-5-nitrobenzenesulfonic acid chloride;A836206;2,3-dimethyl-5-nitrobenzenesulfonyl chloride, AldrichCPR;Z118438228

Chemical Property of Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-

Chemical Property:

• Vapor Pressure: 2.93E-06mmHg at 25°C
• Boiling Point: 400.5°C at 760 mmHg
• Flash Point: 196°C
• PSA: 88.34000
• Density: 1.464g/cm³
• LogP: 3.74310
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 248.9862566
• Heavy Atom Count: 15
• Complexity: 345

Purity/Quality:

97% ^*data from raw suppliers

2,3-DIMETHYL-5-NITROBENZENESULFONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)S(=O)(=O)Cl)[N+](=O)[O-]

Technology Process of Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro-

There total 1 articles about Benzenesulfonyl chloride, 2,3-dimethyl-5-nitro- 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-nitro-o-xylene (99-51-4,34527-23-6,156617-88-8) → C8H8ClNO4S (68631-04-9)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1016/j.bmcl.2009.10.062

Reference yield: 94.0%

morpholine (110-91-8,99108-56-2) + C8H8ClNO4S (68631-04-9) → C12H16N2O5S (1208117-34-3)

Guidance literature:

In ethyl acetate;

DOI:10.1016/j.bmcl.2009.10.062

upstream raw materials:

4-nitro-o-xylene

Downstream raw materials:

C₁₂H₁₆N₂O₅S

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