5-Chloro-2-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 5-Chloro-2-nitrobenzenesulfonyl chloride
• CAS No.: 21792-87-0
• Molecular Formula: C₆H₃Cl₂NO₄S
• Molecular Weight: 256.066
• European Community (EC) Number: 825-550-6
• Nikkaji Number: J1.409.272B
• Mol file: 21792-87-0.mol

Synonyms:5-Chloro-2-nitrobenzenesulfonyl chloride;21792-87-0;5-chloro-2-nitrobenzene-1-sulfonyl chloride;5-chloro-2-nitrophenylsulfonyl chloride;5-chloro-2-nitro-benzenesulfonyl Chloride;SCHEMBL2062571;LNNFIOQFBJVJMZ-UHFFFAOYSA-N;MFCD08443046;AKOS000126114;5-Chloro-2-nitrobenzenesulfonylchloride;EN300-29724;5-Chloro-2-nitrobenzenesulfonyl chloride, AldrichCPR

Chemical Property of 5-Chloro-2-nitrobenzenesulfonyl chloride

Chemical Property:

• Melting Point: 68-69°C
• Boiling Point: 385.3±32.0 °C(Predicted)
• Density: 1.708±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.9159841
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

95% ^*data from raw suppliers

5-Chloro-2-nitrobenzenesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)[N+](=O)[O-]

Technology Process of 5-Chloro-2-nitrobenzenesulfonyl chloride

There total 2 articles about 5-Chloro-2-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:

5-chloro-2-nitroaniline (1635-61-6) → 5-chloro-2-nitrobenzenesulfonyl chloride (21792-87-0)

Guidance literature:

5-chloro-2-nitroaniline; With hydrogenchloride; sodium nitrite; at 0 ℃; for 0.75h;

With sulfur dioxide; acetic acid; copper dichloride; for 1.5h;

DOI:10.1021/jm0503897

Reference yield:

→ 5-chloro-2-nitrobenzenesulfonyl chloride (21792-87-0)

Guidance literature:

m-Chlor-benzol-sulfonylchlorid, HNO3;

Reference yield: 88.0%

n-butyl 1H-pyrrole-2-carboxylate (121530-00-5) + 5-chloro-2-nitrobenzenesulfonyl chloride (21792-87-0) → 1-(5-chloro-2-nitro-benzenesulfonyl)-1H-pyrrole-2-carboxylic acid butyl ester

Guidance literature:

n-butyl 1H-pyrrole-2-carboxylate; With 18-crown-6 ether; potassium tert-butylate; In tetrahydrofuran; for 0.25h;

5-chloro-2-nitrobenzenesulfonyl chloride; In tetrahydrofuran; at 20 ℃; for 3.5h;

DOI:10.1016/j.farmac.2003.11.004

upstream raw materials:

5-chloro-2-nitroaniline

Downstream raw materials:

N-(2-bromophenyl)-2-nitro-5-chlorobenzenesulfonamide

1-(5-Chloro-2-nitro-benzenesulfonyl)-1H-indole

1-(5-Chloro-2-nitro-benzenesulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester

1-(5-Chloro-2-nitro-benzenesulfonyl)-1H-pyrrole-2-carboxylic acid propyl ester