Cyclohexanesulfonyl chloride

Base Information

• Chemical Name: Cyclohexanesulfonyl chloride
• CAS No.: 4837-38-1
• Molecular Formula: C6H11ClO2S
• Molecular Weight: 182.671
• Hs Code.: 2904990090
• European Community (EC) Number: 628-887-5
• NSC Number: 41208
• DSSTox Substance ID: DTXSID80285257
• Nikkaji Number: J696.313G
• Wikidata: Q72459722
• Mol file: 4837-38-1.mol

Synonyms:Cyclohexanesulfonyl chloride;4837-38-1;Cyclohexylsulfonyl chloride;Cyclohexanesulfonyl chloride, tech grade;cyclohexylsulphonyl chloride;C6H11ClO2S;NSC41208;cylcohexanesulfonyl chloride;cyclohexyl sulfonyl chloride;Cyclohexanesulphonyl chloride;SCHEMBL159029;DTXSID80285257;MJWVCJUSRGLHFO-UHFFFAOYSA-N;Cyclohexanesulfonyl chloride, 90%;AR3428;MFCD04117775;NSC-41208;AKOS000302161;AKOS024318821;AB20735;AS-45605;BB 0254326;CS-0054200;FT-0677994;EN300-51909;A905228;F2184-0200;5-TERT-BUTYL-7-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLICACID

Chemical Property of Cyclohexanesulfonyl chloride

Chemical Property:

• Appearance/Colour: colorless to yellow liquid
• Vapor Pressure: 0.0256mmHg at 25°C
• Refractive Index: n 20/D 1.499
• Boiling Point: 255.8 °C at 760 mmHg
• Flash Point: 108.5 °C
• PSA: 42.52000
• Density: 1.29 g/cm³
• LogP: 2.96850
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.0168285
• Heavy Atom Count: 10
• Complexity: 186

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexanesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C:Corrosive
• Statements: R34:
• Safety Statements: S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)S(=O)(=O)Cl

Technology Process of Cyclohexanesulfonyl chloride

There total 25 articles about Cyclohexanesulfonyl 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: 98.3%

S-cyclohexyl ethanethioate (10039-63-1) → cyclohexanesulfonyl chloride (4837-38-1)

Guidance literature:

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

DOI:10.1055/s-2006-950353

Reference yield: 98.0%

1,2-dicyclohexyl disulfide (2550-40-5) → cyclohexanesulfonyl chloride (4837-38-1)

Guidance literature:

With dihydrogen peroxide; zirconium(IV) chloride; In water; acetonitrile; at 25 ℃; for 0.0166667h;

DOI:10.1055/s-0029-1217989

Reference yield: 98.0%

Cyclohexanethiol (1569-69-3) → cyclohexanesulfonyl chloride (4837-38-1)

Guidance literature:

With dihydrogen peroxide; zirconium(IV) chloride; In water; acetonitrile; at 25 ℃; for 0.0333333h;

DOI:10.1055/s-0029-1217989

upstream raw materials:

cyclohexane

1,2-dicyclohexyl disulfide

thiocyanatocyclohexane

S-cyclohexyl ethanethioate

Downstream raw materials:

cyclohexanesulfonic acid

ethyl 3-{4-[2-(cyclohexanesulphonylamino)-ethyl]-phenyl}-propionate

isopropenylcyclohexane

1-phenyl-1-cyclohexane

Refernces

• 1、 Silva-Cuevas, Carolina,Perez-Arrieta, Carlos,Polindara-García, Luis A.,Lujan-Montelongo, J. Armando. "Sulfonyl halide synthesis by thiol oxyhalogenation using NBS/NCS – iPrOH". supporting information. p. 2244 - 2247. Retrieved 2017/05/16.
• 2、 Okada, Tomohide,Matsumuro, Hiroaki,Iwai, Toshiaki,Kitagawa, Saori,Yamazaki, Kento,Akiyama, Tomomi,Asawa, Tomotake,Sugiyama, Yukihiro,Kimura, Yoshikazu,Kirihara, Masayuki. "An efficient method for the preparation of sulfonyl chlorides: Reaction of disulfides or thiols with sodium hypochlorite pentahydrate (NaOCl·5H2O) crystals". . p. 185 - 187. Retrieved 2015/02/19.