1-Butanesulfonyl chloride

Base Information

• Chemical Name: 1-Butanesulfonyl chloride
• CAS No.: 2386-60-9
• Molecular Formula: C4H9ClO2S
• Molecular Weight: 156.633
• Hs Code.: HYSICAL AND CHEMICAL PROPERTIES PHYSICAL STATE clear liquid
• European Community (EC) Number: 219-204-8
• NSC Number: 8027
• UNII: 63US19408H
• DSSTox Substance ID: DTXSID3044883
• Nikkaji Number: J192.723J
• Wikidata: Q27263654
• ChEMBL ID: CHEMBL3184302
• Mol file: 2386-60-9.mol

Synonyms:1-Butanesulfonyl chloride;2386-60-9;Butane-1-sulfonyl chloride;Butylsulfonyl chloride;Butanesulfonyl chloride;1-Butanesulfonylchloride;1-Butylsulfonyl chloride;n-Butanesulphonyl chloride;butanesulfonylchloride;n-Butanesulfonyl chloride;Butane-1-sulphonyl chloride;n-Butylsulfonyl chloride;NSC 8027;EINECS 219-204-8;BRN 1748742;DTXSID3044883;UNII-63US19408H;1-Butane-d9-sulfonyl Chloride;NSC-8027;MFCD00007464;63US19408H;4-04-00-00045 (Beilstein Handbook Reference);1219794-70-3;butane-1-sulfonylchloride;1-butanesulphonyl chloride;butanesulphonyl chloride;butane sulfonyl chloride;butane-sulfonyl chloride;1-butanesulphonylchloride;1-Butansulfonyl chloride;n-butylsulfonoyl chloride;but-1-ylsulphonyl chloride;1 -Butanesulphonyl chloride;butane sulfonic acid chloride;SCHEMBL10433;CHEMBL3184302;DTXCID1024883;NIOSH/EK5940000;1-Butanesulfonyl chloride, 98%;NSC8027;Tox21_301687;STL168021;AKOS000120627;NCGC00256146-01;AS-13481;LS-45991;LS-45992;CAS-2386-60-9;B0866;EK59400000;FT-0607553;EN300-21439;D88706;A816944;1-Butanesulfonyl chloride, purum, >=98.0% (GC);J-015247;Q27263654;F2190-0570

Chemical Property of 1-Butanesulfonyl chloride

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.5 mm Hg ( 20 °C)
• Melting Point: -29 °C
• Refractive Index: n20/D 1.454(lit.)
• Boiling Point: 208.4 °C at 760 mmHg
• Flash Point: 76.6 °C
• PSA: 42.52000
• Density: 1.233 g/cm³
• LogP: 2.43590
• Sensitive.: Moisture Sensitive
• Water Solubility.: DECOMPOSES
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.0011784
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

1-Butanesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CCCCS(=O)(=O)Cl
• Uses: 1-Butanesulfonyl chloride has been used in the preparation of:ethyl 2-(1-butanesulfonamido)pent-4-yn-l-oate1-butanesulfonamid-N,N′-1,2-ethanediylbis1-butanesulfonamide-N,N′-1,3-propanediylbis

Technology Process of 1-Butanesulfonyl chloride

There total 33 articles about 1-Butanesulfonyl 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: 95.0%

→ n-Butyl chloride (109-69-3) + perfluoro-1-butanesulfonyl fluoride (2386-60-9)

Guidance literature:

With Trichloromethanesulfonyl chloride; In dichloromethane; at 18 ℃; for 3.5h; Irradiation;

Reference yield: 95.0%

n-butanethiol (109-79-5) → perfluoro-1-butanesulfonyl fluoride (2386-60-9)

Guidance literature:

With dihydrogen peroxide; trichlorophosphate; In water; at 25 ℃; for 0.5h; chemoselective reaction; Micellar solution;

DOI:10.1055/s-0031-1289628

Reference yield: 94.0%

butanethiol thiouronium hydrobromide (4269-98-1) → perfluoro-1-butanesulfonyl fluoride (2386-60-9)

Guidance literature:

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

DOI:10.1055/s-0034-1381024

upstream raw materials:

n-butylthiocyanate

n-butanethiol

Dibutyl sulfide

dibutyl disulfide

Downstream raw materials:

n-butanethiol

n-Butyl chloride

n-butyl sulfonyl fluoride

butane-1-sulfonamide

Refernces

• 1、 Vivian,Reid. "". . p. 2560. Retrieved 1935.
• 2、 Zhong, Dayou,Wu, Di,Zhang, Yan,Lu, Zhiwu,Usman, Muhammad,Liu, Wei,Lu, Xiuqiang,Liu, Wen-Bo. "Synthesis of Sultams and Cyclic N-Sulfonyl Ketimines via Iron-Catalyzed Intramolecular Aliphatic C-H Amidation". supporting information. p. 5808 - 5812. Retrieved 2019/08/26.
• 3、 Li, Jing-Jing,Zhou, Fei,Tang, Xiao-Dong,Hu, Tao,Cheng, Jin. "Experimental study on deep desulfurization of MTBE by electrochemical oxidation and distillation". . p. 4803 - 4809. Retrieved 2016/01/29.