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2-(Trifluoroacetyl)thiophene

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Name

2-(Trifluoroacetyl)thiophene

EINECS N/A
CAS No. 651-70-7 Density 1.42 g/cm3
PSA 45.31000 LogP 2.49310
Solubility N/A Melting Point N/A
Formula C6H3F3OS Boiling Point 189.3 °C at 760 mmHg
Molecular Weight 180.15 Flash Point 68.3 °C
Transport Information N/A Appearance colorless to yellow powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 651-70-7 (2-(Trifluoroacetyl)thiophene) Hazard Symbols IrritantXi
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;

Article Data 1

2-(Trifluoroacetyl)thiophene 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

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