2-CHLOROETHYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-CHLOROETHYL ISOTHIOCYANATE
• CAS No.: 6099-88-3
• Molecular Formula: C3H4ClNS
• Molecular Weight: 121.59
• Hs Code.: 29309090
• Mol file: 6099-88-3.mol

Synonyms:Isothiocyanicacid, 2-chloroethyl ester (7CI,8CI);2-Chloroethyl isothiocyanate;b-Chloroethyl isothiocyanate;

Chemical Property of 2-CHLOROETHYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.679mmHg at 25°C
• Melting Point: 172 °C
• Refractive Index: n20/D 1.556(lit.)
• Boiling Point: 192.5 °C at 760 mmHg
• Flash Point: 70.2 °C
• PSA: 44.45000
• Density: 1.18 g/cm³
• LogP: 1.32800
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive

Purity/Quality:

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

2-Chloroethyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38-42
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2-CHLOROETHYL ISOTHIOCYANATE

There total 6 articles about 2-CHLOROETHYL ISOTHIOCYANATE 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: 94.0%

carbon disulfide (75-15-0,12122-00-8) + chloroethylamine (689-98-5) → 2-Chloroethyl isothiocyanate (6099-88-3)

Guidance literature:

carbon disulfide; chloroethylamine; In dimethyl sulfoxide; for 0.25h; Inert atmosphere;

With N-benzyl-trimethylammonium hydroxide; In dimethyl sulfoxide; for 2h; Inert atmosphere;

DOI:10.14233/ajchem.2019.22088

Reference yield: 83.0%

carbon disulfide (75-15-0,12122-00-8) + 2-chloroethyl azide (53422-48-3) → 2-Chloroethyl isothiocyanate (6099-88-3)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1248/cpb.54.1616

Reference yield:

ethyleneimine (151-56-4,9002-98-6) + thiophosgene (463-71-8) → 2-Chloroethyl isothiocyanate (6099-88-3)

Guidance literature:

With triethylamine; In tetrachloromethane;

upstream raw materials:

aziridine-1-thiocarbonyl chloride

thiophosgene

2-chloroethanamine hydrochloride

ethyleneimine

Downstream raw materials:

N-(2-chloro-ethyl)-carbonimidic acid dichloride

(Z)-2-chloro-N-(3-(methylsulfonyl)-5-phenylthiazol-2(3H)-ylidene)ethanamine

8-bromo-N-(2-chloroethyl)-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carbothioamide

(4,5-dihydro-thiazol-2-yl)-[1-(2,3-dimethyl-phenyl)-but-3-ynyl]-amine

Refernces

• 1、 Isoda, Takeshi,Hayashi, Kazuhiko,Tamai, Satoshi,Kumagai, Toshio,Nagao, Yoshimitsu. "Efficient synthesis of isothiocyanates based on the tandem Staudinger/aza-Wittig reactions and mechanistic consideration of the tandem reactions". . p. 1616 - 1619. Retrieved 2007/10/03.