18967-44-7

Basic information

• Product Name: 2-CHLOROBENZYL ISOTHIOCYANATE
• Synonyms: 1-Chloro-2-(isothiocyanatomethyl)benzene;Isothiocyanic acid, o-chlorobenzyl ester;isothiocyanicacid,o-chlorobenzylester;2-CHLOROBENZYL ISOTHIOCYANATE;o-Chlorobenzyl isothiocyanate;FLC 2-Chlorobenzyl Isothiocyanate;2-Chlorobenzyl isothiocyate, 98%;2-Chlorobenzyl thiocyate, 98%
• CAS NO: 18967-44-7
• Molecular Formula: C₈H₆ClNS
• Molecular Weight: 183.66
• EINECS: -0
• Mol File: 18967-44-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 138 °C
• Flash Point: 137-138°C/6mm
• Appearance: /
• Density: 1,26 g/cm3
• Vapor Pressure: 0.0071mmHg at 25°C
• Refractive Index: 1.6140
• Water Solubility: It hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 2936688
• CAS DataBase Reference: 2-CHLOROBENZYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROBENZYL ISOTHIOCYANATE(18967-44-7)
• EPA Substance Registry System: 2-CHLOROBENZYL ISOTHIOCYANATE(18967-44-7)

Safety Data

• Hazard Codes: T
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl
• RIDADR: 2810
• RTECS: NX8460000
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 18967-44-7(Hazardous Substances Data)

Usage

Uses

2-Chlorobenzyl isothiocyanate is used as pharmaceutical intermediate.

InChI:InChI=1/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

Upstream product

• 89-97-4 2-CHLOROBENZYLAMINE 
• 31088-85-4 (2-chloro-benzyl)-dithiocarbamic acid; triethylamine salt 

Downstream Products

• 19380-80-4 1-(2-chlorobenzyl)thiourea 
• 109810-56-2 N-(2-chloro-benzyl)-N'-[1]naphthyl-thiourea 
• 109810-59-5 1-(2-chloro-benzyl)-3-naphthalen-2-yl-thiourea 
• 132982-33-3 N-benzyl-N'-(2-chloro-benzyl)-thiourea 
• 31964-49-5 1,3-bis-(2-chloro-benzyl)-thiourea 
• 103861-95-6 1-(2-chloro-benzyl)-3-(4,5-dihydro-thiazol-2-yl)-thiourea 
• 51623-91-7 1-(2-chloro-benzyl)-3-thiazol-2-yl-thiourea 
• 46420-01-3 1-(o-Chloro-)-benzyl-3-amidino-thiourea 

Relevant articles and documents

Na2S2O8-mediated efficient synthesis of isothiocyanates from primary amines in water

We have developed two green, practical, and efficient procedures, including a one-pot one, to synthesize isothiocyanates from amines and carbon disulfide via desulfurization with sodium persulfate. Water is used as the solvent. Basic conditions are necessary for good chemoselectivity for isothiocyanates. Structurally diverse linear and branched alkyl amines and aryl amines are readily converted to isothiocyanates by the two procedures in satisfactory yields. Halogens, benzylic C-H bonds, methylthio, nitro, ester, alkenyl, electron-rich or -deficient (hetero)aryls, acetylenyl, and even phenolic and alcoholic hydroxyls are well tolerated. The one-pot procedure in water can also be used to realize the preparation of chiral isothiocyanates from chiral amines, and the modification of bioactive structures with free amino groups. In large-scale preparation, simple and practical purification procedures independent of column chromatography are developed.