23163-86-2

Basic information

• Product Name: 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
• Synonyms: 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;1-CHLORO-4-ISOTHIOCYANATO-2-TRIFLUOROMETHYL-BENZENE;4-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOTHIO;4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate 99%;4-Chloro-3-(trifluoromethyl)phenylisothiocyanate99%;1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene, 2-Chloro-5-isothiocyanatobenzotrifluoride;4-Chloro-3-(trifluoromethyl)phenyl isothiocyate, 99%
• CAS NO: 23163-86-2
• Molecular Formula: C₈H₃ClF₃NS
• Molecular Weight: 237.63
• EINECS: -0
• Product Categories: Phenyl isocyanate&Phenyl isothiocyanate;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 23163-86-2.mol
• Article Data: 20

Chemical Properties

• Melting Point: 34 °C
• Boiling Point: 248-251 °C(lit.)
• Flash Point: 248-251°C
• Appearance: /
• Density: 1.47 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5905(lit.)
• Storage Temp.: Keep Cold
• Sensitive: Stench
• BRN: 787371
• CAS DataBase Reference: 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23163-86-2)
• EPA Substance Registry System: 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23163-86-2)

Safety Data

• Hazard Codes: C,T
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 23163-86-2(Hazardous Substances Data)

Usage

General Description

4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate is a chemical compound with the formula C8H3ClF3NS. It belongs to the class of organic compounds known as aryl isothiocyanates, which are organic compounds containing the isothiocyanate group linked to an aromatic ring. It's primarily used in the synthesis of other complex organic compounds, such as pharmaceuticals, due to its high reactivity. Its potential toxicity and hazard levels are not widely explored and there is little public data regarding its specific environmental or health effects. The compound's nomenclature suggests the presence of both chlorine and trifluromethyl groups, which can contribute to its physical and chemical properties. Always handle with caution as it may present undefined risks.

Upstream product

• 463-71-8 thiophosgene 
• 320-51-4 4-chloro-3-trifluoromethyl-aniline 
• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 75-15-0 carbon disulfide 
• 56356-99-1 3-trifluoromethyl-4-chlorophenyldithiocarbamic acid 

Downstream Products

• 207919-03-7 (4-chloro-3-trifluoromethyl-phenyl)-thiourea 
• 1351413-05-2 tert-butyl4-(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylate 
• 769960-70-5 4-[2-(4-chloro-3-trifluoromethylphenylamino)-benzoxazol-5-yloxy]-pyridine-2-carboxylic acid (4-pyrrolidin-1-yl-butyl)-amide 

Relevant articles and documents

Substituted pyridine-2-formamide compound and application thereof

The invention belongs to the technical field of medicinal chemistry, and relates to a substituted pyridine-2-formamide compound and application thereof, wherein specifically the substituted pyridine-2-formamide compound has a structure represented by a formula I. According to the invention, based on excellent in vitro inhibition activity on VEGFR-2 kinase and PDGFR-beta kinase and HUVEC cell inhibition activity, the compound can be used as a small-molecular tyrosine kinase (especially Raf kinase) inhibitor, has the effect of inhibiting cell proliferation and angiogenesis, has good antitumor activity, and has a good effect of treating tumor diseases of mammals (including human beings).

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.

The structure of the amine-containing thiourea compound and its preparation method and application

A disclosed thiourea compounds containing an arylamine structure comprises compounds of a general formula I and pharmaceutically acceptable salts. In the general formula I shown in the specification, R1 is selected from H, C1-C8 alkyl, halogens, -CF3, -OCF3, -NO2, -CN, R2O-, -SO2NH2, -NHSO2R3, -NR4R5, -CONR6R7, -COOR8, R9CO- and disubstituted and trisubstituted combinations thereof, R2, R3, R4, R5, R6, R7, R8 and R9 are respectively H or C1-C8 alkyl, L is selected from -NHR10, -NHOR11, -NR12R13, pyrrolidin-1-yl, 4-piperidyl and (4-methyl-1-piperazinyl)methylene, and R10, R11, R12 and R13 are respectively H, C1-C8 alkyl, cycloalkyl or aryl. The compounds have inhibiting effect on multiple tumor cell strains.