3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile

3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile - Names and Identifiers

Name	3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
Synonyms	NC1VR DXFFF 4-(TRIFLUOROMETHYL)BENZOYLACETONITRILE 4-(Trifluoromethyl)benzoylacetonitrile b-Oxo-4-(trifluoroMethyl)-benzenepropanenitrile 3-Oxo-3-(4-trifluoromethyl-phenyl)-propionitrile 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionitrile 3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE Benzenepropanenitrile, b-oxo-4-(trifluoromethyl)- beta-Oxo-4-(trifluoromethyl)benzenepropanenitrile 3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile Benzenepropanenitrile, β-oxo-4-(trifluoromethyl)- benzenepropanenitrile, beta-oxo-4-(trifluoromethyl)- 3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile, 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionitrile
CAS	71682-94-5
InChI	InChI=1/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2

3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile - Physico-chemical Properties

Molecular Formula	C10H6F3NO
Molar Mass	213.16
Density	1.296±0.06 g/cm3(Predicted)
Melting Point	43-45°C
Boling Point	316.2±42.0 °C(Predicted)
Flash Point	145.028°C
Vapor Presure	0mmHg at 25°C
pKa	6.86±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.469

3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile - Risk and Safety

Hazard Symbols	T - Toxic
Risk Codes	43 - May cause sensitization by skin contact
Safety Description	36/37 - Wear suitable protective clothing and gloves.
Hazard Class	IRRITANT

3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile - Introduction

3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile is an organic compound with the chemical formula C10H6F3NO. The following is a detailed description of the compound:

Nature:
-Appearance: White crystalline powder
-Melting Point: 61-63°C
-Molecular weight: 227.15g/mol
-Sweet threshold concentration: 2.6 ppm

Use:
3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile has a wide range of applications in organic synthesis.
-It can be used as a pharmaceutical intermediate for the synthesis of various drugs.
-Because it has good electron acceptance, it can also be used as a light-emitting material and one of the components of organic electroluminescent devices.
-In addition, it can also be used to synthesize high-performance resins, surfactants and pesticides.

Preparation Method:
The synthesis method of 3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile is more complicated and can be prepared by the following steps:
1. first, benzyl alcohol and trifluorotoluene borate are reacted to obtain trifluoromethyl phenyl methyl ether.
2. The trifluoromethyl phenyl methyl ether is then reacted with acetic anhydride to generate ethyl B- oxo-(trifluoromethyl)-phenylpropionate.
3. finally, the target product 3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile was obtained by deacidification reaction of B- oxo-(trifluoromethyl)-phenylpropionate ethyl ester.

Safety Information:
3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile is an organic compound. The following safety precautions should be paid attention to when using it:
-It is an irritating compound. Contact with eyes or skin may cause irritation and inflammation. Wear protective glasses and gloves.
-Avoid inhaling dust or gas during operation to avoid respiratory tract irritation.
-It should be used in a well-ventilated place and avoid contact with strong oxidants and strong acids.
-Follow laboratory and occupational safety operating procedures during use, and strictly abide by relevant laws and regulations.

Last Update：2024-04-09 21:04:16