3696-66-0

Basic information

• Product Name: 3-METHYLBENZYL ISOTHIOCYANATE
• Synonyms: 1-(Isothiocyanatomethyl)-3-methylbenzene;3-METHYLBENZYL ISOTHIOCYANATE;3-Methylbenzyl isothiocyate, 99%
• CAS NO: 3696-66-0
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• Mol File: 3696-66-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 127 °C
• Flash Point: 113.7 °C
• Appearance: Pale brown/Liquid
• Density: 1.09
• CAS DataBase Reference: 3-METHYLBENZYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYLBENZYL ISOTHIOCYANATE(3696-66-0)
• EPA Substance Registry System: 3-METHYLBENZYL ISOTHIOCYANATE(3696-66-0)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 3696-66-0(Hazardous Substances Data)

Usage

General Description

3-Methylbenzyl isothiocyanate is a chemical compound classified under the group of isothiocyanates, which are organic compounds known for their diverse range of biological activities. As an isothiocyanate, this chemical is characterized by a functional group that includes nitrogen, carbon, and sulfur atoms. It is a derivative of benzyl isothiocyanate, with a methyl group attached to the benzene ring, thereby giving it its unique properties. It exhibits potential antimicrobial and antifungal activities, and has been studied for its possible applications in agriculture as a natural pesticide, and in medicine for its potential therapeutic benefits. However, detailed studies about its safety, toxicity, environmental impact, and long-term effects are essential before it can be conclusively used in these areas.

Upstream product

• 463-71-8 thiophosgene 
• 100-81-2 3-methyl-benzenemethanamine 
• 96989-50-3 di-2-pyridyl thionocarbonate 
• 1074-82-4 potassium phtalimide 

Downstream Products

• 1352552-45-4 2-(3-trifluoromethylphenyl)-4-(3-methylbenzyl)-1,2,4-thiadiazolidine-3,5-dione 
• 1352552-44-3 2-(3-chlorophenyl)-4-(3-methylbenzyl)-1,2,4-thiadiazolidine-3,5-dione 
• 1352552-08-9 2-(4-methylphenyl)-4-(3-methylbenzyl)-1,2,4-thiadiazolidine-3,5-dione 
• 1352552-41-0 2-phenyl-4-(3-methylbenzyl)-1,2,4-thiadiazolidine-3,5-dione 
• 1352552-43-2 2-m-tolyl-4-(3-methylbenzyl)-1,2,4-thiadiazolidine-3,5-dione 
• 1352552-42-1 2-(4-t-butylphenyl)-4-(3-methylbenzyl)-1,2,4-thiadiazolidine-3,5-dione 
• 131156-86-0 bis-<4-(p-tolyl)-2-thioxo-2,3-dihydrothiazol-5-yl)> disulphide 
• 143543-76-4 (4,5-Dihydro-thiazol-2-yl)-(3-methyl-benzyl)-amine 
• 131156-96-2 5-mercapto-4-(p-tolyl)thiazole-2(3H)-thione 
• 51623-93-9 1-(3-methyl-benzyl)-3-thiazol-2-yl-thiourea 
• 104743-07-9 1-(4,5-dihydro-thiazol-2-yl)-3-(3-methyl-benzyl)-thiourea 

Relevant articles and documents

Application of sulfur-containing isocyanate compounds in growth inhibition of blue-green algae

The invention relates to the application of sulfur-containing isocyanate compounds in the growth inhibition of blue-green algae. The compounds have structures as shown in a general formula I and a general formula II. In the general formula I, R1 represents a methyl group, a phenethyl group, a phenyl group, 4-methylpyridine or 3-methylpyridine. In the general formula II, M represents a carbonyl group, a methylene group and a methylene phenyl group; R3 represents hydrogen or chlorine; R4 represents oxygen, hydrogen, fluorine or chlorine; R5 represents oxygen, hydrogen, chlorine, a methyl group,fluorine, a benzene ring, bromine or a trifluoromethyl group; when R4 and R5 are oxygen, R4 and R5 are cyclized to form 1,3-dioxocyclopentene; R6 represents hydrogen, fluorine, bromine, a trifluoromethyl group, a methyl group and chlorine; and R7 represents hydrogen, a trifluoromethyl group, chlorine and bromine. The sulfur-containing isocyanate compounds with the structures as shown in the general formulas I and II provided by the invention have relatively good inhibition effect on blue-green algae, and can be used as an effective component of a blue-green algae algicide.

Synthesis and Octopaminergic Agonist Activity of 2-(Substituted benzylamino)-2-thiazolines

2-(Substituted benzylamino)-2-thiazolines (SBAT) were synthesized by a hydrochloric acid-catalyzed cyclization of the corresponding thioureas, using a reaction of 2-methylthio-2-thiazoline with substituted benzylamines or by alkylating 2-amino-2-thiazoline. 2-(Alkylthio)-2-thiazolines were obtained by alkylating 2-mercaptothiazoline.Most of the SBAT compounds activated adenylate cyclase in homogenates of cockroach ventral nerve cords; the effect of introducing substituents at the phenyl of the SBAT compounds on octopaminergic agonist activity was not significant. 2--2-thiazolines and 2-(alkylthio)-2-thiazolines were not significant octopaminergic agonists.Washing removed nearly all of the activity of one of the SBAT compounds, suggesting that the SBAT compounds bound reversibly to the octopaminergic receptor.