113028-75-4

Basic information

• Product Name: 3,4-Difluorophenyl isothiocyanate
• Synonyms: 3,4-DIFLUOROPHENYL ISOTHIOCYANATE;3,4-DIFLUORO-(ISOTHIOCYANATO)-BENZENE;DFNCS (1,2-DIFLUORO-4-ISOTHIOCYANATOBENZENE);Benzene, 1,2-difluoro-4-isothiocyanato- (9CI);3,4-Difluorophenyl isothiocyanate 99%;3,4-Difluorophenylisothiocyanate99%
• CAS NO: 113028-75-4
• Molecular Formula: C₇H₃F₂NS
• Molecular Weight: 171.17
• Product Categories: ISOTHIOCYANATE;Fluorine series
• Mol File: 113028-75-4.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 170°C(lit.)
• Flash Point: 97 °C
• Appearance: /
• Density: 1.26 g/cm³
• Refractive Index: 1.5970 to 1.6010
• CAS DataBase Reference: 3,4-Difluorophenyl isothiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Difluorophenyl isothiocyanate(113028-75-4)
• EPA Substance Registry System: 3,4-Difluorophenyl isothiocyanate(113028-75-4)

Safety Data

• RIDADR: UN 2810 6.1/PG III
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 113028-75-4(Hazardous Substances Data)

Usage

General Description

3,4-Difluorophenyl isothiocyanate is a chemical compound that has the molecular formula C7H3F2NCS. It is categorized under the class of isothiocyanates, which are organic compounds that contain an isothiocyanate functional group. This complex substance can be identified by its CAS registry number, 35189-28-1. It is highly reactive, often forming stable products through nucleophilic addition or substitution reactions. The 3,4-difluorophenyl isothiocyanate is used as a building block in the synthesis of more complex chemical structures, particularly in pharmaceuticals and agrochemicals where isothiocyanates have shown significant biological activity. However, like other isothiocyanates, it should be handled with care due to potential health risks if improperly handled.

Upstream product

• 75-15-0 carbon disulfide 
• 3863-11-4 3,4-difluoroaniline 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 
• 541-41-3 chloroformic acid ethyl ester 
• 144514-15-8 3,4-difluorophenyl dithiocarbamic acid triethylammonium 

Downstream Products

• 894284-93-6 2-[3-(3,4-difluoro-phenyl)-thioureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 1412891-45-2 4-(3-(3-(3,4-difluorophenyl)thioureido)phenoxy)-N-methylpicolinamide 
• 1412891-46-3 4-(3-(3-(3,4-difluorophenyl)thioureido)phenoxy)-N-ethylpicolinamide 
• 1412891-47-4 4-(3-(3-(3,4-difluorophenyl)thioureido)phenoxy)-N-ethylpicolinamide 
• 1412891-48-5 1-(3,4-difluorophenyl)-3-(3-((2-(pyrrolidine-1-carbonyl)pyridin-4-yl)oxy)phenyl)thiourea 
• 1124173-02-9 C₂₁H₁₃F₂N₅O₅ 
• 959415-15-7 C₂₄H₂₄F₂N₄O₅ 
• 1124172-96-8 C₂₁H₁₉F₂N₅O₅ 
• 1417344-61-6 4-(4-(3-(3,4-difluorophenyl)thioureido)phenylthio)-N-methylpicolinamide 
• 1395063-42-9 4-(4-(3-(3,4-difluorophenyl)thioureido)phenylthio)-N-ethylpicolinamide 
• 1395063-28-1 N-benzyl-4-(4-(3-(3,4-difluorophenyl)thioureido)phenylthio)picolinamide 
• 1395063-36-1 N-cyclohexyl-4-(4-(3-(3,4-difluorophenyl)thioureido)phenylthio)picolinamide 
• 1395063-40-7 N-cyclopropyl-4-(4-(3-(3,4-difluorophenyl)thioureido)phenylthio)picolinamide 

Relevant articles and documents

Design and discovery of thioether and nicotinamide containing sorafenib analogues as multikinase inhibitors targeting B-Raf, B-RafV600E and VEGFR-2

New sorafenib derivatives containing thioether and nicotinamide moiety were designed and synthesized as B-Raf, B-RafV600E and VEGFR-2 multikinase inhibitors. Their in vitro enzymatic inhibitory activities against B-Raf, B-RafV600E and VEGFR-2 and their antiproliferative activities against HCT-116 and B16BL6 cell lines were evaluated and described. Most of the compounds showed potent activities against both cell lines and specific kinases. Compounds a1, b1 and c4, which exhibited the most potent inhibitory activities against B-Raf with IC50 of 21 nM, 27 nM and 17 nM, B-RafV600E with IC50 of 29 nM, 28 nM and 16 nM, VEGFR-2 with IC50 of 84 nM, 46 nM and 63 nM, respectively, and good antiproliferative activities, also demonstrated competitive antiangiogenic activities to sorafenib in in vitro HUVEC tube formation assay.

Discovery of novel anti-angiogenesis agents. Part 6: Multi-targeted RTK inhibitors

Angiogenesis is modulated by a multitude of pro-angiogenic factors including VEGFR-2, Tie-2, and EphB4. Moreover, their crosstalk also had been well elaborated. We have identified several diarylurea-based VEGFR-2 inhibitors as potential anti-angiogenesis agents. As a continuation to our previous research, two series of diaryl malonamide and diaryl thiourea derivatives have been developed as multiplex VEGFR-2/Tie-2/EphB4 inhibitors. Interestingly, the biological evaluation indicated that several compounds bearing trifluoromethyl or trifluoromethoxyl exhibited promising multiplex inhibition against angiogenesis-related VEGFR-2, Tie-2, and EphB4. The representative compound (18a) displayed both potent multi-targeted RTK inhibition and considerable antiproliferative activities against human umbilical vein endothelial cells (EA.hy926). These results will contribute to the discovery of novel muti-targeted anti-angiogenesis agents.

A block containing nicotinamide diphenyl thiourea compound and its salt preparation method and use of

The invention relates to a diphenyl thiourea compound containing niacinamide building blocks and salt of the diphenyl thiourea compound. The chemical structure of the diphenyl thiourea compound is as shown in the description. The diphenyl thiourea compound and the salt, pharmaceutically acceptable, of the diphenyl thiourea compound have inhibiting effects on various tumour cell strains and can serve as effective components for preparing tumour treatment medicine.