S-BUTYL CHLOROTHIOFORMATE, 96%

Base Information

• Chemical Name: S-BUTYL CHLOROTHIOFORMATE, 96%
• CAS No.: 13889-94-6
• Molecular Formula: C5H9ClOS
• Molecular Weight: 152.645
• Hs Code.: 2930909090
• European Community (EC) Number: 625-458-4
• DSSTox Substance ID: DTXSID70535354
• Wikidata: Q82409637
• Mol file: 13889-94-6.mol

Synonyms:S-Butyl chlorothioformate;n-butyl thiolochloroformate;(Butylthio)carbonyl chloride;chlorothioformic acid S-n-butyl ester;Carbonochloridothioic acid,S-butyl ester;S-n-butyl chlorothioformate;butyl thiochloroformate;butyl chlorothioformate;

Chemical Property of S-BUTYL CHLOROTHIOFORMATE, 96%

Chemical Property:

• Vapor Pressure: 1.03mmHg at 25°C
• Refractive Index: n20/D 1.479
• Boiling Point: 49 °C/0.7 mmHg
• Flash Point: 61.3°C
• PSA: 42.37000
• Density: 0.985 g/mL
• LogP: 2.87850
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.0062638
• Heavy Atom Count: 8
• Complexity: 74.8

Purity/Quality:

98%Min ^*data from raw suppliers

S-BUTYL CHLOROTHIOFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCSC(=O)Cl

Technology Process of S-BUTYL CHLOROTHIOFORMATE, 96%

There total 4 articles about S-BUTYL CHLOROTHIOFORMATE, 96% 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: 75.0%

S-butyl O-ethyl dithiocarbonate (2594-90-3) → butyl chlorothioformate (13889-94-6)

Guidance literature:

With oxalyl dichloride; In acetonitrile; for 6h;

DOI:10.1055/s-2007-983756

Reference yield: 56.0%

phosgene (75-44-5) + n-butanethiol (109-79-5) → butyl chlorothioformate (13889-94-6)

Guidance literature:

In diethyl ether; at -80 - 20 ℃; Inert atmosphere;

DOI:10.1080/10426507.2011.582801

Reference yield:

phosgene (75-44-5) → butyl chlorothioformate (13889-94-6)

Guidance literature:

With sodium hydroxide; toluene;

DOI:10.1007/BF00900782

upstream raw materials:

phosgene

n-butanethiol

S-butyl O-ethyl dithiocarbonate

Downstream raw materials:

ethyl-thiocarbamic acid S-butyl ester

S-Butyl N,N-diethylthiocarbamate

(3-Butylsulfanylcarbonylamino-phenyl)-carbamic acid phenyl ester

N-(3-Chlor-phenyl)-N-butylmercaptocarbonyl-hydroxylamin