2799-72-6

Basic information

• Product Name: 3-CHLOROPROPYL ISOTHIOCYANATE
• Synonyms: 3-CHLOROPROPYL ISOTHIOCYANATE;1-Chloro-3-isothiocyanatopropane;3-Chloroproyl Isothiocyanate;3-Chloropropyl isothiocyate, 99%
• CAS NO: 2799-72-6
• Molecular Formula: C₄H₆ClNS
• Molecular Weight: 135.62
• Mol File: 2799-72-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 130 °C
• Flash Point: 83.2 °C
• Appearance: clear yellow liquid
• Density: 1.18
• Vapor Pressure: 0.234mmHg at 25°C
• Refractive Index: 1.515
• CAS DataBase Reference: 3-CHLOROPROPYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLOROPROPYL ISOTHIOCYANATE(2799-72-6)
• EPA Substance Registry System: 3-CHLOROPROPYL ISOTHIOCYANATE(2799-72-6)

Safety Data

• Hazard Codes: Xi,C
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: IRRITANT, CORROSIVE
• Hazardous Substances Data: 2799-72-6(Hazardous Substances Data)

Usage

Uses

3-Chloropropyl Isothiocyanate (CAS# 2799-72-6) can be used to prepare as an insecticide. It can be used to synthesize, and characterize phagocytic activity of human neutrophils.

InChI:InChI=1/C4H6ClNS/c5-2-1-3-6-4-7/h1-3H2

Upstream product

• 540-72-7 sodium thiocyanide 
• 109-70-6 1.3-chlorobromopropane 
• 2092-16-2 calcium thiocyanate 
• 333-20-0 potassium thioacyanate 
• 463-71-8 thiophosgene 
• 6276-54-6 3-chloropropylamine hydrochloride 
• 14753-26-5 3-chloropropan-1-amine 

Downstream Products

• 96406-73-4 N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N'-(2,6-dimethyl-phenyl)-hydrazine; hydrochloride 
• 4478-93-7 D,L-sulforaphane 
• 1330562-78-1 2-(3,5-diphenyl-1-pyrazolyl)-5,6-dihydro-4H-1,3-thiazine 
• 96406-71-2 N-(2,4-Dichloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 96406-72-3 N-(2,5-Dichloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 96423-61-9 N-(2,3-Dichloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 56737-68-9 N-(2,6-Dichloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 96423-60-8 N-(3,4-Dichloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 96406-76-7 N-(4-Bromo-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 96406-74-5 N-(3-Chloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 96406-77-8 N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N'-(4-nitro-phenyl)-hydrazine; hydrochloride 
• 96406-75-6 N-(4-Chloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 
• 130783-61-8 2-(3'-Chloropropylthioureido)benzenesulfonamide 
• 96423-59-5 N-(3,5-Dichloro-phenyl)-N'-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-hydrazine; hydrochloride 

Relevant articles and documents

Conversion synthetic method of sulforaphane

The invention relates to a conversion synthetic method of sulforaphane and belongs to the field of organic compound synthesis technology. In order to solve the problem that existing sulforaphane preparation methods have disadvantages of low yield, high cost, toxic raw materials, etc., the invention provides a conversion synthetic method of sulforaphane. The method of the invention comprises the following steps: dimethyl sulfoxide and sodium hydride react according to a certain molar ratio to synthesize methylsulfinyl sodium; 1-bromo-3-chloropropane and thiocyanate react according to a certainmolar ratio to synthesize 3-chloroisothiocyanopropane; and 3-chloroisothiocyanopropane and methylsulfinyl sodium react according to a certain molar ratio to synthesize sulforaphane. By directly bridging two intermediates, one-step synthesis of sulforaphane is realized. The raw materials are safe and stable, and yield is higher. In addition, reaction conditions in the sulforaphane synthesis steps are mild; the reactions can be rapidly carried out in a normal-temperature or low-temperature environment; the synthetic product is avoided from being decomposed by heating; and purity and environmental stability of the product are enhanced. The above beneficial effects are all beneficial to practical application of sulforaphane.