64382-80-5

Basic information

• Product Name: 2-FLUOROBENZYL ISOTHIOCYANATE
• Synonyms: 1-Fluoro-2-(isothiocyanatomethyl)benzene;2-FLUOROBENZYL ISOTHIOCYANATE;2-Fluorobenzyl isothiocyanate 98%;2-Fluorobenzylisothiocyanate98%;2-(Isothiocyanatomethyl)fluorobenzene;2-Fluorobenzyl isothiocyate, 98%
• CAS NO: 64382-80-5
• Molecular Formula: C₈H₆FNS
• Molecular Weight: 167.2
• Mol File: 64382-80-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 130 °C
• Flash Point: 101.9 °C
• Appearance: /
• Density: 1,22 g/cm3
• Vapor Pressure: 0.0462mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Keep Cold
• CAS DataBase Reference: 2-FLUOROBENZYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUOROBENZYL ISOTHIOCYANATE(64382-80-5)
• EPA Substance Registry System: 2-FLUOROBENZYL ISOTHIOCYANATE(64382-80-5)

Safety Data

• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: IRRITANT-HARMFUL, KEEP COLD, LAC
• Hazardous Substances Data: 64382-80-5(Hazardous Substances Data)

Usage

General Description

2-Fluorobenzyl isothiocyanate is a chemical compound with the formula C8H6FNS. It is a colorless to pale yellow liquid that is derived from benzyl isothiocyanate in which one of the hydrogen atoms on the benzene ring has been replaced by a fluorine atom. 2-FLUOROBENZYL ISOTHIOCYANATE is primarily used in organic synthesis and pharmaceutical research as a building block for the preparation of various organic compounds, particularly in the development of new drugs. It is also known for its potential applications in the field of agrochemicals and herbicides. 2-Fluorobenzyl isothiocyanate is flammable and may cause irritation to the skin and eyes, and should be handled with caution in a laboratory or industrial setting.

InChI:InChI=1/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

Upstream product

• 75-15-0 carbon disulfide 
• 89-99-6 2-fluorobenzylamine 

Downstream Products

• 61290-72-0 3-(2-Fluoro-benzyl)-1-(2-hydroxy-ethyl)-1-methyl-thiourea 
• 61290-91-3 1-Allyl-3-(2-fluoro-benzyl)-thiourea 
• 1384521-73-6 1-(2-fluorobenzyl)-3-((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)thiourea 
• 1492902-38-1 2-(4-(2-fluorobenzyl)-5-isopropyl-4H-1,2,4-triazol-3-ylthio)-N-(2-nitrophenyl)acetamide 
• 1492902-37-0 2-(4-(2-fluorobenzyl)-5-isopropyl-4H-1,2,4-triazol-3-ylthio)-N-(2-fluorophenyl)acetamide 
• 1492902-36-9 N-(2-chlorophenyl)-2-(4-(2-fluorobenzyl)-5-isopropyl-4H-1,2,4-triazol-3-ylthio)acetamide 
• 1038384-04-1 C₁₂H₁₄FN₃S 
• 1492902-49-4 C₁₂H₁₆FN₃OS 
• 74788-04-8 (2-Fluoro-benzyl)-thiazolidin-(2Z)-ylidene-amine 
• 74787-73-8 1-(2-Fluoro-benzyl)-3-(3-hydroxy-propyl)-thiourea 
• 61290-44-6 1-(2-Fluoro-benzyl)-3-(2-hydroxy-ethyl)-thiourea 

Relevant articles and documents

Synthesis and cytotoxic evaluation of quinazolin-4(3H)-one derivatives bearing thiocarbamate, thiourea or N-methyldithiocarbamate side Chains

We have previously found that the dithiocarbamate derivatives of quinazolin-4(3H)-one could act as cytotoxic agents against a panel of human tumor cell lines. To investigate the contribution of dithiocarbamate moiety to the cytotoxic activity, three series of novel quinazolin-4(3H)-one derivatives bearing thiocarbamate, thiourea or Nmethyldithiocarbamate side chains were synthesized and tested for their cytotoxic activity against human cancer cell lines A549, MCF-7, HeLa, HT29 and HCT-116 by MTT assay. The results showed that transformation of the dithiocarbamate moiety in lead compound I to thiocarbamate or thiourea led to a decrease or loss of cytotoxic activity. Some N-alkylated analogs of lead compound II preferentially inhibited the proliferation of A549 cells, although their potencies were not improved in comparison with the unalkylated counterparts. The structure-activity relationship obtained in this research will be beneficial for further synthesis and discovery of effective cytotoxic agents.