4478-92-6

Basic information

• Product Name: 1-PHENYLETHYL ISOTHIOCYANATE
• Synonyms: isothiocyanicacid,(alpha-methylbenzyl)ester;(±)-1-Phenylethylisothiocyanate,97%;(n)-1-phenylethyl isothiocyanate;dl-à-methylbenzyl isothiocyanate;DL-alpha-Methylbenzyl isothiocyanate,98%;1-Phenethylisothiocyanate , 97%
• CAS NO: 4478-92-6
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.2431
• EINECS: -0
• Mol File: 4478-92-6.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 132 °C
• Flash Point: 103°C
• Appearance: /
• Density: 1,06 g/cm3
• Refractive Index: 1.5810
• Sensitive: Moisture Sensitive
• BRN: 2207685
• CAS DataBase Reference: 1-PHENYLETHYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYLETHYL ISOTHIOCYANATE(4478-92-6)
• EPA Substance Registry System: 1-PHENYLETHYL ISOTHIOCYANATE(4478-92-6)

Safety Data

• Statements: 23/24/25-36/37/38
• Safety Statements: 27-28-36/37/39
• RIDADR: 2810
• RTECS: NX8800000
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 4478-92-6(Hazardous Substances Data)

Usage

Chemical Properties

yellow liquid

InChI:InChI=1/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3

Upstream product

• 100-42-5 styrene 
• 7664-93-9 sulfuric acid 
• 540-72-7 sodium thiocyanide 
• 98-85-1 1-Phenylethanol 
• 13437-79-1 (α)-methylbenzylamine hydrochloride 
• 105966-39-0 2-(1-phenylethoxy)-tetrahydro-2H-pyran 
• 14856-75-8 1-phenyl-1-trimethylsilyloxyethane 
• 76926-65-3 C₁₁H₁₅NS₂ 
• 62-53-3 aniline 
• 104-94-9 4-methoxy-aniline 
• 59647-78-8 2-phenylpropanal oxime 
• 618-36-0 rac-methylbenzylamine 
• 463-71-8 thiophosgene 
• 17356-08-0 thiourea 

Downstream Products

• 67398-34-9 N-(α-methylbenzyl)thiourea 
• 76176-60-8 N,N-dimethyl-N'-(1-phenyl-ethyl)-thiourea 
• 74787-95-4 1-Cyclohexyl-1-(2-hydroxy-ethyl)-3-(1-phenyl-ethyl)-thiourea 
• 4312-18-9 4-(α-Methyl-benzyl)-2-methyl-thiosemicarbazid 
• 13120-06-4 N-methyl-N'-((+/-)-α-methylbenzyl)thiourea 
• 116986-60-8 5-Amino-3-morpholin-4-yl-[1,2,4]triazole-1-carbothioic acid (1-phenyl-ethyl)-amide 
• 100-41-4 ethylbenzene 
• 888-33-5 1,2-diphenyl-1-amino-2-propanol 
• 917965-98-1 C₁₉H₂₁NO₂ 

Relevant articles and documents

Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates

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Reaction of Thiocarbonyl Fluoride Generated from Difluorocarbene with Amines

The reaction of thiocarbonyl fluoride, generated from difluorocarbene, with various amines under mild conditions is described. Secondary amines, primary amines, and o-phenylenediamines are converted to thiocarbamoyl fluorides, isothiocyanates, and difluoromethylthiolated heterocycles, respectively. Thiocarbamoyl fluorides were further transformed into trifluoromethylated amines by using a one-pot process. Thiocarbonyl fluoride is generated in situ and is rapidly fully converted in one pot under mild conditions; therefore, no special safety precautions are needed.

Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor

Macrophage migration inhibitory factor (MIF) is a pleiotropic cytokine that has roles in the innate immune response, and also contributes to inflammatory disease. While the biological properties of MIF are closely linked to protein-protein interactions, M