383371-02-6

Basic information

• Product Name: 6-AMINO-2-TRIFLUOROMETHYL-CHROMEN-4-ONE
• Synonyms: 6-AMINO-2-(TRIFLUOROMETHYL)-4H-CHROMEN-4-ONE;6-AMINO-2-TRIFLUOROMETHYL-CHROMEN-4-ONE;6-AMINO-2-(TRIFLUOROMETHYL)CHROMONE;CHEMBRDG-BB 6894512;OTAVA-BB 1119397;TIMTEC-BB SBB013841;6-amino-2-(trifluoromethyl)-4H-chromen-4-one(SALTDATA: FREE)
• CAS NO: 383371-02-6
• Molecular Formula: C10H6F3NO2
• Molecular Weight: 229.16
• Mol File: 383371-02-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 288.6°C at 760 mmHg
• Flash Point: 128.3°C
• Appearance: /
• Density: 1.523g/cm³
• Vapor Pressure: 0.00232mmHg at 25°C
• Refractive Index: 1.561
• CAS DataBase Reference: 6-AMINO-2-TRIFLUOROMETHYL-CHROMEN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-AMINO-2-TRIFLUOROMETHYL-CHROMEN-4-ONE(383371-02-6)
• EPA Substance Registry System: 6-AMINO-2-TRIFLUOROMETHYL-CHROMEN-4-ONE(383371-02-6)

Safety Data

• Hazardous Substances Data: 383371-02-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H6F3NO2/c11-10(12,13)9-4-7(15)6-3-5(14)1-2-8(6)16-9/h1-4H,14H2

Upstream product

• 309286-94-0 6-nitro-2-(trifluoromethyl)-4H-chromen-4-one 

Relevant articles and documents

Vibrational, electronic, and structural properties of 6-nitro- and 6-amino-2-trifluoromethylchromone: An experimental and theoretical study

Two 2-trifluoromethylchromones, 6-nitro-2-trifluoromethylchromone (1) and 6-amino-2-trifluoromethylchromone (2) were synthesized and characterized by NMR (1H, 13C, and 19F), UV-vis, vibrational (IR and Raman) spectroscopy, MS spectrometry, and compound 1 also by single structural X-ray diffraction methods. This substance crystallizes in the monoclinic P2 1/c space group with Z = 4 molecules per unit cell. In the solid, the fused rings and the amino group of 1 are coplanar and the trifluoromethyl group adopts a nearly staggered conformation. The NMR, vibrational, and electronic spectra were discussed and assigned with the assistance of DFT calculations.