38985-64-7

Basic information

• Product Name: 2-FLUOROPHENYL ISOTHIOCYANATE
• Synonyms: 1-FLUORO-2-ISOTHIOCYANATO-BENZENE;2-FLUOROPHENYL ISOTHIOCYANATE;O-FLUOROPHENYL ISOTHIOCYANATE;TIMTEC-BB SBB006546;1-fluoro-2-isothiocyanato-benzen;Benzene, 1-fluoro-2-isothiocyanato-;2-Fluorophenyl isothiocyanate,98%;2-Fluorophenylisothiocyanate,38985-64-7,MFCD00004800.
• CAS NO: 38985-64-7
• Molecular Formula: C7H4FNS
• Molecular Weight: 153.18
• EINECS: 254-237-1
• Product Categories: Phenyl isocyanate&Phenyl isothiocyanate;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates;Fluorine series
• Mol File: 38985-64-7.mol
• Article Data: 33

Chemical Properties

• Melting Point: 24-26°C
• Boiling Point: 104 °C (12 mmHg)
• Flash Point: 97°C
• Appearance: colorless to light yellow liquid
• Density: 1.248
• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: 1.6254
• Storage Temp.: Refrigerator (+4°C)
• Sensitive: Moisture Sensitive
• BRN: 4176581
• CAS DataBase Reference: 2-FLUOROPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUOROPHENYL ISOTHIOCYANATE(38985-64-7)
• EPA Substance Registry System: 2-FLUOROPHENYL ISOTHIOCYANATE(38985-64-7)

Safety Data

• Hazard Codes: Xn,T,Xi,C
• Statements: 36/37/38-20/21/22-36/37-34
• Safety Statements: 36/37/39-26-23-45-28-27
• RIDADR: 2810
• WGK Germany: 3
• TSCA: T
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 38985-64-7(Hazardous Substances Data)

Usage

Description

2-Fluorophenyl isothiocyanate is a clear colorless to light yellow liquid that is utilized in the chemical synthesis process. It is an important intermediate compound in the production of various organic compounds, particularly acylthiosemicarbazides.

Uses

Used in Pharmaceutical Industry:
2-Fluorophenyl isothiocyanate is used as a key intermediate in the synthesis of acylthiosemicarbazides, which are known for their potential pharmaceutical applications. These compounds have shown promise in the development of new drugs targeting various diseases and conditions.
Used in Chemical Synthesis:
2-Fluorophenyl isothiocyanate serves as a versatile building block in the synthesis of a wide range of organic compounds. Its unique chemical properties allow it to be used in various reactions, leading to the creation of new molecules with diverse applications in different industries.

InChI:InChI=1/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Upstream product

• 75-15-0 carbon disulfide 
• 348-54-9 2-Fluoroaniline 
• 463-71-8 thiophosgene 
• 51085-49-5 2-fluoroaniline hydrochloride 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 

Downstream Products

• 126802-47-9 C₁₅H₁₂FN₅OS 
• 39184-82-2 N-(2-fluorophenyl)ethanethioamide 
• 135097-59-5 N-(2-fluorophenyl)pentanethioamide 
• 135063-40-0 N-(2-fluorophenyl)-2-methylpropanethioamide 
• 132814-31-4 5-(4-Chloro-phenyl)-3-(2-fluoro-phenyl)-4-imino-7-phenyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidine-2-thione 
• 883-93-2 2-Phenylbenzothiazole 
• 1629-23-8 N-(2-fluorophenyl)phenylmethanethioamide 
• 123372-53-2 7-(4-Amino-phenyl)-3-(2-fluoro-phenyl)-4-imino-5-phenyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidine-2-thione 
• 105363-02-8 3-Amino-2-(2-fluoro-phenylamino)-3H-quinazolin-4-one 
• 368-05-8 sym N,N′-di(2-fluorophenyl)thiourea 
• 656-32-6 N-(2-fluorophenyl)thiourea 
• 355378-65-3 C₁₉H₁₅ClFN₅O₂S 
• 380304-54-1 1-(2-fluoro-phenyl)-3-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-thiourea 

Relevant articles and documents

Design, synthesis and biological evaluation of novel 2,4-disubstituted quinazoline derivatives targeting H1975 cells via EGFR-PI3K signaling pathway

In order to find new and highly effective anti-tumor drugs with targeted therapeutic effects, a series of novel 4-aminoquinazoline derivatives containing N-phenylacetamide structure were designed, synthesized and evaluated for antitumor activity against four human cancer cell lines (H1975, PC-3, MDA-MB-231 and MGC-803) using MTT assay. The results showed that the compound 19e had the most potent antiproliferative activity against H1975, PC-3, MDA-MB-231 and MGC-803 cell lines. At the same time, compound 19e could significantly inhibit the colony formation and migration of H1975 cells. Compound 19e also arrested the H1975 cell cycle in the G1 phase and mediated cell apoptosis, promoted the accumulation of ROS in H1975 cells. Furthermore, compound 19e exerted antitumor effect in vitro by reducing the expression of anti-apoptotic protein Bcl-2 and increasing the pro-apoptotic protein Bax and p53. Mechanistically, compound 19e could significantly decreased the phosphorylation of EGFR and its downstream protein PI3K in H1975 cells. Which indicated that compound 19e targeted H1975 cell via interfering with EGFR-PI3K signaling pathway. Molecular docking showed that compound 19e could bind into the active pocket of EGFR. Those work suggested that compound 19e would have remarkable implications for further design of anti-tumor agents.

Direct, Microwave-Assisted Synthesis of Isothiocyanates

A microwave-assisted desulfuration of readily available dithiocarbamates, formed in situ from primary amines, leading to target isothiocyanates has been developed. This efficient protocol provides a rapid, environmentally benign route to aliphatic and aromatic isothiocyanates.

With DHODH inhibits the active containing N, S heterocyclic compound and its preparation and use (by machine translation)

The present invention relates to an N- and S-containing heterocyclic compound having DHODH inhibiting activity and a preparation and use thereof. In particular, disclosed in the present invention are a compound of general formula (I), or an optical isomer, a cis-trans isomer or a pharmaceutically acceptable salt thereof, and the preparation method thereof. This compound has excellent dihydroorotate dehydrogenase inhibiting activity, thereby being used for treating or preventing diseases such as inflammatory diseases, for example, autoimmune diseases, rheumatoid arthritis and lupus erythematosus, destructive bone disorders, malignant nephrosclerosis disease, vascular diseases and infectious diseases.