1-Dodecanesulfonyl chloride

Base Information

• Chemical Name: 1-Dodecanesulfonyl chloride
• CAS No.: 10147-40-7
• Molecular Formula: C12H25ClO2S
• Molecular Weight: 268.848
• Hs Code.: 2904909090
• European Community (EC) Number: 233-416-8
• NSC Number: 94098
• UNII: G45GS200PO
• DSSTox Substance ID: DTXSID7044500
• Nikkaji Number: J227.070F
• Wikidata: Q27278723
• ChEMBL ID: CHEMBL3561591
• Mol file: 10147-40-7.mol

Synonyms:dodecane-1-sulfonyl chloride;1-Dodecanesulfonyl chloride;10147-40-7;1-Dodecanesulfonylchloride;dodecylsulfonyl chloride;C12H25ClO2S;1-Dodecanesulphonyl chloride;UNII-G45GS200PO;Dodecane-1-sulphonyl chloride;G45GS200PO;DTXSID7044500;EINECS 233-416-8;MFCD00014728;NSC-94098;dodecanesulfonylchloride;dodecanesulfonyl chloride;dodecan-1-sulfonylchlorid;1-Dodecylsulfonyl chloride;n-dodecanesulfonyl chloride;dodecane-1-sulfonylchloride;1-dodecane-sulfonyl chloride;SCHEMBL744300;CHEMBL3561591;DTXCID5024500;C12-H25-Cl-O2-S;NSC94098;Tox21_303760;GEO-04212;NSC 94098;AKOS009157920;1-Dodecanesulfonyl chloride, AldrichCPR;NCGC00357006-01;AS-59600;CAS-10147-40-7;FT-0602746;A19527;F20459;J-000406;Q27278723

Chemical Property of 1-Dodecanesulfonyl chloride

Chemical Property:

• Appearance/Colour: Colourless to slightly yellow solid
• Vapor Pressure: 0.000146mmHg at 25°C
• Melting Point: 41-42 °C
• Refractive Index: 1.462
• Boiling Point: 342.726 °C at 760 mmHg
• Flash Point: 161.075 °C
• PSA: 42.52000
• Density: 1.038 g/cm³
• LogP: 5.55670
• Sensitive.: Moisture Sensitive
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 268.1263789
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

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

Dodecane-1-sulfonyl chloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: Xi
• Statements: 34-43
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCS(=O)(=O)Cl

Technology Process of 1-Dodecanesulfonyl chloride

There total 12 articles about 1-Dodecanesulfonyl 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: 100.0%

S,S-Didodecyl dithiocarbonate (70592-02-8) → 1-Dodecanesulfonyl chloride (10147-40-7)

Guidance literature:

With water; chlorine; at 5 - 10 ℃; for 1h;

DOI:10.1055/s-1989-27445

Reference yield: 97.0%

S-n-dodecylisothiuronium bromide (3545-42-4) → 1-Dodecanesulfonyl chloride (10147-40-7)

Guidance literature:

With tert-butylhypochlorite; In water; acetonitrile; at 0 - 20 ℃;

DOI:10.1055/s-0034-1381024

Reference yield: 51.0%

sodium dodecyl sulfate (2386-53-0) → 1-Dodecanesulfonyl chloride (10147-40-7)

Guidance literature:

With phosphorus pentachloride; at 20 ℃; for 0.166667h;

upstream raw materials:

dodecane

didodecyl disulfide

S-dodecyl-isothiourea; hydrochloride

1-dodecylthiol

Refernces

• 1、 Yang, Zhanhui,Zhou, Bingnan,Xu, Jiaxi. "Clean and economic synthesis of alkanesulfonyl chlorides from S-alkyl isothiourea salts via bleach oxidative chlorosulfonation". . p. 225 - 229. Retrieved 2014.
• 2、 Qiu, Kui,Wang, Rennan. "Tert -Butyl Hypochlorite Mediated Oxidative Chlorination of S -Alkylisothiourea Salts: Synthesis of Sulfonyl Chlorides". . p. 3186 - 3190. Retrieved 2015.
• 3、 Bougueroua,Mousli,Tazerouti. "Synthesis and Physicochemical Properties of Alanine-Based Surfactants". . p. 1121 - 1131. Retrieved 2016.