Name: 2-(Trifluoroacetyl)thiophene
SKU: 651-70-7

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Basic Information

Molecular Structure:
CAS No.:	651-70-7
Name:	2-(Trifluoroacetyl)thiophene
Article Data:	1

Formula:	C₆H₃F₃OS
Molecular Weight:	180.15
Synonyms:	2-Thienyl trifluoromethyl ketone;Ketone,2-thienyl trifluoromethyl (6CI,8CI);2,2,2-Trifluoro-1-(2-thienyl)ethanone;2-(Trifluoroacetyl)thiophene;2,2,2-Trifluoro-1-(thiophen-2-yl)ethanone;
Density:	1.42 g/cm³
Boiling Point:	189.3 °C at 760 mmHg
Flash Point:	68.3 °C
Appearance:	colorless to yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	45.31000
LogP:	2.49310

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Specification

The Ethanone,2,2,2-trifluoro-1-(2-furanyl)-, with the CAS registry number 651-70-7, is also known as 2-(Trifluoroacetyl)thiophene. It belongs to the product categories of Acetylhalide; Carbonyl Compounds; Heterocycles; Building Blocks; Heterocyclic Building Blocks; Thiophenes. This chemical's molecular formula is C₆H₃F₃OS and molecular weight is 180.15. What's more, its systematic name is 2,2,2-trifluoro-1-thiophen-2-ylethanone. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of Ethanone,2,2,2-trifluoro-1-(2-furanyl)- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.31; (6)ACD/BCF (pH 7.4): 12.31; (7)ACD/KOC (pH 5.5): 209.87; (8)ACD/KOC (pH 7.4): 209.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 35.12 cm³; (15)Molar Volume: 126.8 cm³; (16)Polarizability: 13.92×10^-24cm³; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 68.3 °C; (20)Enthalpy of Vaporization: 42.55 kJ/mol; (21)Boiling Point: 189.3 °C at 760 mmHg; (22)Vapour Pressure: 0.573 mmHg at 25°C.

Preparation of Ethanone,2,2,2-trifluoro-1-(2-thienyl)-: this chemical can be prepared by thiophene and dimethyl-(1-trifluoroacetyl-1H-pyridin-4-ylidene)-ammonium; trifluoro-acetate at the temperature of 20 °C. This reaction will need reagent AlCl₃ and solvent CH₂Cl₂ with the reaction time of 15 hours. The yield is about 78%.

Ethanone,2,2,2-trifluoro-1-(2-thienyl)- can be prepared by thiophene and dimethyl-(1-trifluoroacetyl-1H-pyridin-4-ylidene)-ammonium; trifluoro-acetate at the temperature of 20 °C

Uses of Ethanone,2,2,2-trifluoro-1-(2-thienyl)-: it can be used to produce (2,2-difluoro-1-thiophen-2-yl-vinyloxy)-triethyl-silane at the temperature of 0 °C. It will need reagent n-Bu₄NBr and solvent acetonitrile. The yield is about 61%.

Ethanone,2,2,2-trifluoro-1-(2-thienyl)- can be used to produce (2,2-difluoro-1-thiophen-2-yl-vinyloxy)-triethyl-silane at the temperature of 0 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(=O)C(F)(F)F
(2)InChI: InChI=1S/C6H3F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3H
(3)InChIKey: CZYKJGCKVBXLGF-UHFFFAOYSA-N