4-Chloro-2-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Chloro-2-nitrobenzenesulfonyl chloride
• CAS No.: 4533-96-4
• Molecular Formula: C6H3Cl2NO4S
• Molecular Weight: 256.066
• Hs Code.: 2904909090
• European Community (EC) Number: 224-875-5
• NSC Number: 81212
• UNII: 2U62Q3CF4S
• DSSTox Substance ID: DTXSID10196483
• Nikkaji Number: J28.769E
• Wikidata: Q83069528
• Mol file: 4533-96-4.mol

Synonyms:4-Chloro-2-nitrobenzenesulfonyl chloride;4533-96-4;Benzenesulfonyl chloride, 4-chloro-2-nitro-;4-chloro-2-nitrobenzene-1-sulfonyl chloride;2-Nitro-4-chlorobenzenesulfonyl chloride;4-Chloro-2-nitrophenylsulphonyl chloride;2U62Q3CF4S;EINECS 224-875-5;NSC-81212;4-chloro-2-nitrobenzenesulfonylchloride;4-Chloro-2-nitrophenylsulfonyl chloride;4-Chloro-2-nitro-benzenesulfonyl chloride;UNII-2U62Q3CF4S;SCHEMBL1052777;DTXSID10196483;4-Chlor-2-nitrobenzolsulfochlorid;NSC81212;MFCD02684714;NSC 81212;4-Chloro-2-nitrophenylsulfonylchloride;AKOS000813763;o-Nitro-p-chlorobenzene sulfonyl chloride;4-Chloro-2-nitrobenzenesulfonyl chloride #;FT-0755003;EN300-30660;4-Chloro-2-nitrobenzenesulfonyl chloride, 97%;F9995-0525

Chemical Property of 4-Chloro-2-nitrobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 7.69E-05mmHg at 25°C
• Melting Point: 75-79°C
• Refractive Index: 1.599
• Boiling Point: 352.7 °C at 760 mmHg
• Flash Point: 167.1 °C
• PSA: 88.34000
• Density: 1.708 g/cm³
• LogP: 3.77970
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chloro-2-nitrobenzenesulfonyl chloride

There total 9 articles about 4-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: 83.0%

4-Chloro-2-nitroaniline (89-63-4) → 4-chloro-2-nitrobenzenesulfonyl chloride (4533-96-4)

Guidance literature:

4-Chloro-2-nitroaniline; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃; for 0.333333h;

With thionyl chloride; copper(l) chloride; In water; at 20 ℃; for 0.166667h;

Reference yield:

4-chloro-2-nitro-benzenesulfonic acid → 4-chloro-2-nitrobenzenesulfonyl chloride (4533-96-4)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 90 ℃; for 3h;

Reference yield:

2-fluoro-5-chloronitrobenzene (345-18-6) → 4-chloro-2-nitrobenzenesulfonyl chloride (4533-96-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium sulfite / ethanol; water / 16 h / 70 °C

2: thionyl chloride / N,N-dimethyl-formamide / 3 h / 90 °C

With thionyl chloride; sodium sulfite; N,N-dimethyl-formamide; In ethanol; water;

upstream raw materials:

2-nitro-4-chlorobenzenediazonium cation

bis(2-nitro-4-chlorophenyl)disulfide

thiobenzoic acid S-(4-chloro-2-nitro-phenyl ester)

4-Chloro-2-nitroaniline

Downstream raw materials:

4-chloro-2-nitro-benzenesulfonic acid methylamide

1-(4-chloro-2-nitrobenzenesulfonyl)-1H-pyrrole

1-(4-Chloro-2-nitro-benzenesulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester

4-chloro-N-(2-chloro-3-pyridyl)-2-nitrobenzenesulfonamide

Refernces

• 1、 -. "Novel Sulfonaminoquinoline Hepcidin Antagonists". . . Retrieved 2012/09/05.
• 2、 -. "OXINDOLE DERIVATIVES". Page/Page column 74. . Retrieved 2008/06/13.