CHLOROMETHYL THIOCYANATE

Base Information

• Chemical Name: CHLOROMETHYL THIOCYANATE
• CAS No.: 3268-79-9
• Molecular Formula: C2H2 Cl N S
• Molecular Weight: 107.564
• Hs Code.: 2930909090
• European Community (EC) Number: 221-883-0
• NSC Number: 96962
• UNII: CQ59MX5PRK
• DSSTox Substance ID: DTXSID80186351
• Nikkaji Number: J48.839I
• Wikidata: Q83057616
• Mol file: 3268-79-9.mol

Synonyms:(Chloromethyl)thiocyanogen;1-Chloro-1-thiocyanomethane; Chloromethyl thiocyanate; NSC 96962

Chemical Property of CHLOROMETHYL THIOCYANATE

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
• Vapor Pressure: 3.29mmHg at 25°C
• Refractive Index: n20/D 1.515(lit.)
• Boiling Point: 186.2°Cat760mmHg
• Flash Point: 83.9°C
• PSA: 49.09000
• Density: 1.339g/cm³
• LogP: 1.39698
• Sensitive.: Moisture Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 106.9596479
• Heavy Atom Count: 5
• Complexity: 53.9

Purity/Quality:

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

Chloromethyl Thiocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-32
• Safety Statements: 13-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(SC#N)Cl

Technology Process of CHLOROMETHYL THIOCYANATE

There total 8 articles about CHLOROMETHYL 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: 86.1%

→ chloromethyl thiocyanate (3268-79-9)

Guidance literature:

Reference yield: 72.5%

chlorobromomethane (74-97-5) + N-benzyl-N,N,N-triethylammonium chloride (56-37-1) + calcium thiocyanate*3H2O (5892-22-8,13077-45-7,15134-84-6,37001-83-5,65114-14-9) → chloromethyl thiocyanate (3268-79-9)

Guidance literature:

In water;

Reference yield: 71.0%

ammonium thiocyanate + chlorobromomethane (74-97-5) + N-benzyl-N,N,N-triethylammonium chloride (56-37-1) → chloromethyl thiocyanate (3268-79-9)

Guidance literature:

In water;

upstream raw materials:

ethanol

chlorobromomethane

potassium thioacyanate

chloromethanesulfenyl chloride

Downstream raw materials:

(4-chloro-phenylsulfanyl)-methyl thiocyanate

chloromethane sulfonic acid

Dimethyltetradecyl(thiocyanatomethyl)ammonium Chloride

dimethyldodecyl(thiocyanatomethyl)ammonium chloride

Refernces

• 1、 Kamalov, R. M.,Makarov, G. M.,Pudovik, M. A.,Cherkasov, R. A.,Pudovik, A. N.. "REACTIONS OF O,O-DIALKYL HYDROGEN PHOSPHORODITHIOATES WITH CHLOROALKYL THIOCYANATES". . p. 1984 - 1988. Retrieved 2007/10/02.