16794-68-6

Basic information

• Product Name: 4-METHYLBENZOYL ISOTHIOCYANATE
• Synonyms: 4-METHYLBENZOYL ISOTHIOCYANATE;Benzoyl isothiocyanate, 4-Methyl-;4-Methylbenzoyl isothiocyate, 98%
• CAS NO: 16794-68-6
• Molecular Formula: C₉H₇NOS
• Molecular Weight: 177.22
• Mol File: 16794-68-6.mol
• Article Data: 75

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 125.5 °C
• Appearance: /
• Density: 1.16
• Vapor Pressure: 0.00307mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: 4-METHYLBENZOYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLBENZOYL ISOTHIOCYANATE(16794-68-6)
• EPA Substance Registry System: 4-METHYLBENZOYL ISOTHIOCYANATE(16794-68-6)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 16794-68-6(Hazardous Substances Data)

Usage

General Description

4-METHYLBENZOYL ISOTHIOCYANATE is a chemical compound with the formula C9H7NOS. It is a derivative of isothiocyanate and belongs to the class of benzoyl derivatives. 4-METHYLBENZOYL ISOTHIOCYANATE is used in organic synthesis and chemical research as a reagent for the preparation of various organic compounds. It is a colorless to pale yellow liquid with a pungent odor and is considered to be a potent irritant to the skin, eyes, and respiratory system. 4-METHYLBENZOYL ISOTHIOCYANATE is also known for its potential use as an anticancer agent due to its ability to induce apoptosis in cancer cells.

InChI:InChI=1/C9H7NOS/c1-7-2-4-8(5-3-7)9(11)10-6-12/h2-5H,1H3

Upstream product

• 874-60-2 4-methyl-benzoyl chloride 
• 592-87-0 lead(II) thiocyanate 
• 333-20-0 potassium thioacyanate 
• 1147550-11-5 ammonium thiocyanate 
• 99-94-5 p-Toluic acid 
• 540-72-7 sodium thiocyanide 
• 345647-26-9 triisopropylsilyl p-toluate 

Downstream Products

• 54209-29-9 3-butyl-2-(4-methoxy-phenyl)-6-p-tolyl-2,3-dihydro-[1,3,5]oxadiazine-4-thione 
• 72225-19-5 (methyl-4' benzoyl) amino-2-Δ²-thiazoline 
• 135009-61-9 4-p-Tolyl-6,7-dihydro-thiazolo[3,2-a][1,3,5]triazine-2-thione 
• 93516-02-0 4-Methyl-N-[5-phenyl-[1,3]thiaselenol-(2E)-ylidene]-benzamide 
• 59-49-4 2-Benzoxazolinone 
• 38334-91-7 N-4-methylbenzoylthiourea 
• 128406-93-9 4-p-Tolyl-9-oxa-1,3,4a-triaza-fluorene-2-thione 
• 124927-20-4 1-(1H-Benzoimidazol-2-yl)-3-(4-methyl-benzoyl)-thiourea 
• 55842-44-9 N-(1H-benzo[d]imidazole-2-yl)-4-methylbenzamide 
• 131120-14-4 1-(6-Methyl-benzothiazol-2-yl)-3-(4-methyl-benzoyl)-thiourea 
• 131120-17-7 N-p-tolyl-N'-(6-methoxybenzothiazol-2-yl)thiourea 
• 128530-35-8 N-p-toluyl-N'-(6-methoxythiazolo<5,4-b>pyridin-2-yl)thiourea 
• 112449-41-9 4-Methyl-N-(3-p-tolyl-ureidocarbothioyl)-benzamide 
• 112449-43-1 N-[3-(4-Methoxy-phenyl)-ureidocarbothioyl]-4-methyl-benzamide 

Relevant articles and documents

Synthesis, crystal structure, spectral and electrochemical characterization, DNA binding and free radical scavenging studies of ferrocene-based thioureas

Thioureas are important building blocks in medicinal chemistry; ferrocenes as highly hydrophobic moieties induce very interesting qualities in medicinal compounds. In this article, we have synthesized four ferrocene incorporated N,N′-disubstituted benzoyl

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Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides

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Synthesis and Spectral Characterization of New 2-(5-Aryl-4H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione Derivatives

Abstract: A series of novel 2-(5-aryl-4H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-diones were synthesized in three steps. In the first step, treatment of substituted benzoyl chlorides with ammonium thiocyanate gave the corresponding benzoyl isothiocyanate