1743-86-8

Basic information

• Product Name: 2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
• Synonyms: 1-ISOTHIOCYANATO-2-TRIFLUOROMETHYL-BENZENE;2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;O-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;à,à,à-trifluoro-o-tolyl isothiocyanate;alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate;isothiocyanic acid 2-(trifluoromethyl)phenyl ester;Isothiocyanic Acid 2-(Trifluoromethyl)phenyl Ester alpha,alpha,alpha-Trifluoro-o-tolyl Isothiocyanate;1-Trifluoromethyl-2-isothiocyanatobenzene
• CAS NO: 1743-86-8
• Molecular Formula: C₈H₄F₃NS
• Molecular Weight: 203.18
• EINECS: -0
• Product Categories: Phenyl isocyanate&Phenyl isothiocyanate;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 1743-86-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 220 °C(lit.)
• Flash Point: 221 °F
• Appearance: /
• Density: 1.346 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.566(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive: Moisture Sensitive
• BRN: 2693552
• CAS DataBase Reference: 2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(1743-86-8)
• EPA Substance Registry System: 2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(1743-86-8)

Safety Data

• Hazard Codes: C,Xi,T
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: 2810
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1743-86-8(Hazardous Substances Data)

Usage

General Description

2-(Trifluoromethyl)phenyl isothiocyanate is a specialized chemical compound that incorporates elements like carbon, hydrogen, nitrogen, sulfur, and fluorine. Notable for its aromatic phenyl group and the presence of a trifluoromethyl group and an isothiocyanate group, which significantly influences its chemical behavior and properties. 2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE is usually used as a specialty chemical for research purposes and is utilized in organic synthesis. Exact properties like its boiling point, melting point, and exact toxicity levels may vary significantly. Details about its physical state, color, solubility, and stability can also be defined by specific conditions. As it's a complex chemical compound, handling it requires specific caution to avoid potential hazards or health risks.

InChI:1S/C8H4F3NS/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H

Upstream product

• 1736-71-6 2-trifluoromethylphenyl thiourea 
• 463-71-8 thiophosgene 
• 88-17-5 2-(trifluoromethyl)benzenamine 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 
• 96989-50-3 di-2-pyridyl thionocarbonate 
• 75-15-0 carbon disulfide 

Downstream Products

• 1744-41-8 1-Guanyl-4-<2-trifluormethyl-phenyl>-thiosemicarbazid 
• 186371-11-9 3-hydroxy-5-[(5-nitrothiazol-2-yl)mercapto]-4-[2-(trifluoromethyl) phenyl]-1,2,4-triazole 
• 1056619-28-3 2-(2-trifluoromethylphenylamino)-1H-benzoimidazole-5-carboxylic acid 
• 475182-00-4 1-(2-methoxy-ethyl)-3-(2-trifluoromethyl-phenyl)-thiourea 
• 1373882-46-2 (S)-(-)-6-methyl-4-trifluoromethyl-1-[2-(trifluoromethyl)phenyl]-4-phenyl-3,4-dihydropyrimidine-2(1H)-thione 
• 1376770-25-0 1-(2-(trifluoromethyl)phenyl)-3-(4-(6-((3-(trifluoromethyl)phenyl)amino)pyrimidin-4-yl)phenyl)thiourea 
• 1383991-99-8 6-iodo-2-thioxo-3-(2-(trifluoromethyl)phenyl)-2,3-dihydroquinazolin-4(1H)-one 
• 1621608-26-1 2-{[4-(tricyclo[3.3.1.1^3,7]dec-1-yl)quinolin-2-yl]carbonyl}-N-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamide 

Relevant articles and documents

4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES

Compounds of formula (I) for use in the treatment or prophylaxis of a disease, which is a hyperproliferative disease and/or a disorder responsive to induction of cell death, selected from a haematological tumour, a solid tumour and/or metastases thereof, said tumour harbouring a mutant EGFR with exon 19 or 21 mutations, and their use as pharmaceuticals.

4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES

Compounds of formula (I) processes for their production and their use as pharmaceuticals.

Inhibitors of the Diadenosine Tetraphosphate Phosphorylase Rv2613c of Mycobacterium tuberculosis

The intracellular concentration of diadenosine tetraphospate (Ap4A) increases upon exposure to stress conditions. Despite being discovered over 50 years ago, the cellular functions of Ap4A are still enigmatic. If and how the varied Ap4A is a signal and involved in the signaling pathways leading to an appropriate cellular response remain to be discovered. Because the turnover of Ap4A by Ap4A cleaving enzymes is rapid, small molecule inhibitors for these enzymes would provide tools for the more detailed study of the role of Ap4A. Here, we describe the development of a high-throughput screening assay based on a fluorogenic Ap4A substrate for the identification and optimization of small molecule inhibitors for Ap4A cleaving enzymes. As proof-of-concept we screened a library of over 42, 000 compounds toward their inhibitory activity against the Ap4A phosphorylase (Rv2613c) of Mycobacterium tuberculosis (Mtb). A sulfanylacrylonitril derivative with an IC50 of 260 ± 50 nM in vitro was identified. Multiple derivatives were synthesized to further optimize their properties with respect to their in vitro IC50 values and their cytotoxicity against human cells (HeLa). In addition, we selected two hits to study their antimycobacterial activity against virulent Mtb to show that they might be candidates for further development of antimycobacterial agents against multidrug-resistant Mtb.