4-Chlorobenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Chlorobenzenesulfonyl chloride
• CAS No.: 98-60-2
• Deprecated CAS: 27415-01-6
• Molecular Formula: C6H4Cl2O2S
• Molecular Weight: 211.069
• Hs Code.: 29049020
• European Community (EC) Number: 202-685-3
• NSC Number: 6956
• UNII: H55O3362D6
• DSSTox Substance ID: DTXSID4059174
• Nikkaji Number: J16.838F
• Wikidata: Q27279656
• Mol file: 98-60-2.mol

Synonyms:4-Chlorobenzenesulfonyl chloride;98-60-2;4-chlorobenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 4-chloro-;p-Chlorophenylsulfonyl chloride;p-Chlorobenzenesulfonyl chloride;4-chloro-benzenesulfonyl chloride;4-Chlorobenzenesulphonyl chloride;4-chlorobenzenesulfonylchloride;Benzenesulfonyl chloride, p-chloro-;p-Chlorbenzensulfochlorid;4-CHLOROPHENYLSULFONYL CHLORIDE;Chlorid kyseliny p-chlorbensulfonove;MFCD00007439;Benzenesulfonic acid, 4-chloro-, chloride;HSDB 5318;p-Chlorbenzensulfochlorid [Czech];NSC 6956;EINECS 202-685-3;BRN 0511583;4-chlorobenzene sulfonylchloride;Chlorid kyseliny p-chlorbensulfonove [Czech];UNII-H55O3362D6;NSC-6956;4-chlorobenzenesulfonic acid chloride;H55O3362D6;EC 202-685-3;p-chlorobenzenesulphonyl chloride;WLN: WSGR DG;p-Chlorobenzenesulfochloride;4-chlorbenzensulfonylchlorid;SCHEMBL67558;4-chlorophenylsulfonylchloride;p-chlorobenzenesulfonylchloride;4-chloro-phenylsulfonylchloride;4-chlorobenzensulfonyl chloride;4-chlorobezenesulfonyl chloride;4-chlorobenzenesulphonylchloride;p-chlorobenzene sulfonylchloride;4-chloro-benzenesulfonylchloride;4-Chlorophenylsulphonyl chloride;p-chlorobenzene sulphonylchloride;p-chlorobenzene-sulphonylchloride;4 -chlorophenylsulfonyl chloride;DTXSID4059174;p-chlorobenzene sulfonyl chloride;4-chloro benzenesulfonyl chloride;4-chlorobenzene sulfonyl chloride;4-chlorobenzene-sulfonyl chloride;p-chloro phenyl sulfonyl chloride;para-chlorobenzensulfonyl chloride;ZLYBFBAHAQEEQQ-UHFFFAOYSA-;4-Chlorophenyl sulphonyl chloride;NSC6956;4-chlorobenzene-sulphonyl chloride;4-chloro -benzenesulfonyl chloride;4-chloro-1-benzenesulfonyl chloride;4-chloro-benzene sulphonyl chloride;BCP27394;CS-D1665;STL145903;4-chlorobenzenesulphonic acid chloride;p-chlorobenzenesulphonic acid chloride;AKOS000119208;para-chlorophenylsulfonic acid chloride;4-Chlorobenzenesulfonyl chloride, 97%;AM101770;LS-32136;PS-10914;SY001330;FT-0618175;4-CHLOROPHENYLSULFONYL CHLORIDE [HSDB];EN300-18993;D70673;J-515140;Q27279656;4-Chlorobenzenesulfonyl chloride, technical grade, 95%;F2190-0564;Z104472128;4-Chlorobenzenesulfonyl Chloride

Chemical Property of 4-Chlorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: white to light yellow crystals, powder or flakes
• Vapor Pressure: 0.00995mmHg at 25°C
• Melting Point: 50-52 °C(lit.)
• Refractive Index: 1.569
• Boiling Point: 272.8 °C at 760 mmHg
• Flash Point: 118.8 °C
• PSA: 42.52000
• Density: 1.529 g/cm³
• LogP: 3.34830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• Water Solubility.: INSOLUBLE
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.9309059
• Heavy Atom Count: 11
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorobenzenesulfonyl Chloride >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)Cl)Cl
• Uses: 4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.

Technology Process of 4-Chlorobenzenesulfonyl chloride

There total 31 articles about 4-Chlorobenzenesulfonyl 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: 99.0%

p-chlorophenylsulfonyl hydrazide (2751-25-9) → 4-chlorobenzenesulfonyl chloride (98-60-2)

Guidance literature:

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 2h;

DOI:10.3390/molecules26185551

Reference yield: 96.8%

S-acetyl-4-chlorothiophenol (21021-60-3) → 4-chlorobenzenesulfonyl chloride (98-60-2)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 ℃;

DOI:10.1055/s-2006-950353

Reference yield: 96.1%

S-(4-chlorophenyl) methylcarbamothioate (29411-04-9) → 4-chlorobenzenesulfonyl chloride (98-60-2)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 ℃;

DOI:10.1055/s-2006-950353

upstream raw materials:

4-chlorophenyldiazonium salt

chlorobenzene

4-Chlorobenzenesulfonamide

2-methoxy-ethanol

Downstream raw materials:

4-chloro-N-pyridin-2-yl-benzenesulfonamide

4-chloro-N-pyrimidin-2-yl-benzenesulfonamide

N-ethyl-4-chlorobenzenesulfonamide

4-chloro-benzenesulfonic acid-(2-methoxy-phenyl ester)

Refernces

• 1、 -. "NEW SELECTIVE MODULATORS OF INSECT NICOTINIC ACETYLCHOLINE RECEPTORS". Page/Page column 18. . Retrieved 2020/06/01.
• 2、 Sohrabnezhad, Samira,Bahrami, Kiumars,Hakimpoor, Farahman. "High yielding protocol for direct conversion of thiols to sulfonyl chlorides and sulfonamides". . p. 256 - 264. Retrieved 2019/02/06.