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 
• 1147550-11-5 ammonium thiocyanate 
• 99-94-5 p-Toluic acid 
• 333-20-0 potassium thioacyanate 
• 540-72-7 sodium thiocyanide 
• 345647-26-9 triisopropylsilyl p-toluate 

Downstream Products

• 92032-67-2 N-butyl-N'-p-toluoyl-thiourea 
• 73924-29-5 1-(p-toluoyl)-2-thiobiuret 
• 93515-71-0 4-Methyl-N-[5-p-tolyl-[1,3]thiaselenol-(2E)-ylidene]-benzamide 
• 65739-28-8 N-(4-methylbenzoyl)-N’-phenylthiourea 
• 76655-11-3 N-(4-methylbenzoyl)-N'-(ethoxycarbonylmethyl)thiourea 
• 159679-97-7 1-(4-Methyl-benzoyl)-3-(4-oxo-2-phenyl-4H-chromen-6-yl)-thiourea 
• 178675-18-8 3-[3-(4-Methyl-benzoyl)-thioureido]-thiophene-2-carboxylic acid methyl ester 
• 178675-25-7 1-(4-Methyl-benzoyl)-3-(6-methyl-4-oxo-4H-benzo[d][1,3]thiazin-2-yl)-thiourea 
• 301157-63-1 3-thioxo-1-p-tolyl-3,4-dihydropyrimido[1,6-a]benzimidazol-4-ylidenetriphenylphosphorane 
• 848131-05-5 1-[(2-chloropyridin-5-yl)acetyl]-4-(4-methylbenzoyl)thiosemicarbazide 
• 446831-66-9 1-(2-chloro-phenyl)-3-(4-methyl-benzoyl)-thiourea 
• 333740-26-4 1-(3-chloro-phenyl)-3-(4-methyl-benzoyl)-thiourea 

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