2-Chloroethyl thiocyanate

Base Information

• Chemical Name: 2-Chloroethyl thiocyanate
• CAS No.: 928-57-4
• Molecular Formula: C3H4 Cl N S
• Molecular Weight: 121.59
• Hs Code.: 2930909090
• European Community (EC) Number: 213-177-6
• NSC Number: 196140
• UNII: T2X64P2YJA
• DSSTox Substance ID: DTXSID90239145
• Nikkaji Number: J48.836D
• Wikidata: Q83121502
• Mol file: 928-57-4.mol

Synonyms:2-Chloroethyl thiocyanate;928-57-4;Thiocyanic acid, 2-chloroethyl ester;TL 335;EINECS 213-177-6;NSC 196140;BRN 1741709;NSC-196140;ss-Chlorathylrhodanid;WLN: NCS2G;T2X64P2YJA;1-chloro-2-thiocyanatoethane;C3-H4-Cl-N-S;SCHEMBL4781549;DTXSID90239145;Thiocyanic acid 2-chloroethyl ester;MFCD00040884;NSC196140;TL-335;[(2-chloroethyl)sulfanyl]carbonitrile;AKOS005206942;LS-152646;FT-0691637;(1,2,3,4-tetrahydronaphthalen-2-yl)methylamine;EN300-6477359

Chemical Property of 2-Chloroethyl thiocyanate

Chemical Property:

• Vapor Pressure: 0.172mmHg at 25°C
• Refractive Index: 1.5140
• Boiling Point: 212.6°Cat760mmHg
• Flash Point: 82.4°C
• PSA: 49.09000
• Density: 1.256g/cm³
• LogP: 1.43948
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 120.9752980
• Heavy Atom Count: 6
• Complexity: 64.4

Purity/Quality:

2-CHLOROETHYL THIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R32:Contact with acids liberates very toxic gas.
• Hazard Codes: R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R32:Contact with acids liberates very toxic gas.
• Statements: 23/24/25-32-36/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)SC#N

Technology Process of 2-Chloroethyl thiocyanate

There total 13 articles about 2-Chloroethyl thiocyanate 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:

1,2-dichloro-ethane (107-06-2,52399-93-6) → 2-chloroethyl thiocyanate (928-57-4)

Guidance literature:

With ethanol;

DOI:10.1021/ja01523a032

Reference yield:

thiocyanogen (505-14-6) → 2-chloroethyl thiocyanate (928-57-4)

Guidance literature:

With chloroform; chlorine; at -60 ℃; anschliessend mit Aethylen;

DOI:10.1039/jr9580000774

Reference yield:

potassium thioacyanate (333-20-0) + 1-Bromo-2-chloroethane (107-04-0) → 2-chloroethyl thiocyanate (928-57-4)

Guidance literature:

With ethanol; man reinigt das Produkt durch Destillation im Vakuum;

upstream raw materials:

ethene

chloroform

thiocyanatochloride

thiocyanogen

Downstream raw materials:

thirane

2-Chloroethanesulfonyl chloride

Phenylethinyl vinylsulfid

vinyl-4'-bromophenyl sulfide