220239-65-6

220239-65-6 - Names and Identifiers

Name	[4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile
Synonyms	NC1R DF CXFFF 3-Trifluoromethyl-4-Fluorobenz 4-floro-3-trifluorophenylacetonitrile 3-Trifluoromethyl-4-fluorobenzylcyanide 3-TRIFLUOROMETHYL-4-FLUOROBENZYL CYANIDE 4-Fluoro-3-(Trifluoromethyl)benzyl Cyanide 4-floro-3-(trifluoromethyl)phenylacetonitrile 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETONITRILE 4-Fluoro-3-(trifluoromethyl)phenylacetonitrile [4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile Benzeneacetonitrile, 4-fluoro-3-(trifluoromethyl)- 2-[4-fluoro-3-(trifluoroMethyl)phenyl]acetonitrile
CAS	220239-65-6
InChI	InChI=1/C9H5F4N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3H2

220239-65-6 - Physico-chemical Properties

Molecular Formula	C9H5F4N
Molar Mass	203.14
Density	1.324±0.06 g/cm3(Predicted)
Boling Point	93°C 10mm
Flash Point	114.8°C
Vapor Presure	0.0832mmHg at 25°C
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.443

220239-65-6 - Risk and Safety

Hazard Symbols	T - Toxic
Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	3276
Hazard Class	TOXIC

220239-65-6 - Introduction

[4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile is an organic compound with the chemical formula C9H4F4N. Its molecular structure contains a cyano group and a benzyl group, wherein the benzyl group is also attached to a fluorine containing substituent and a trifluoromethyl group. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance:[4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile is a white to pale yellow crystalline solid.
-Solubility: It is almost insoluble in water and soluble in common organic solvents such as ethanol and dimethyl sulfoxide.
-Melting point: About 85-89 ° C.
-Thermal stability:[4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile can be stable at high temperatures.

Use:
-as an important intermediate in Organic Synthesis:[4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile can be used as an important intermediate in organic synthesis for the preparation of other organic compounds, such as drugs, pesticides and functional materials, etc.
-Used in the field of medicine: It can be used in the synthesis of new anti-tumor drugs in drug research and development.

Method:
-Usually obtained by reacting 4-fluoro-3-(trifluoromethyl) phenylacetaldehyde with sodium cyanide under appropriate conditions.
-Specific steps: First, 4-fluoro-3-(trifluoromethyl) phenylacetaldehyde is reacted with sodium cyanide in a suitable solvent to generate the corresponding cyanide. Then, by acidification treatment, the cyanide is converted to [4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile.

Safety Information:
- [4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile is a chemical, and you need to pay attention to safe operation during use.
-specific safety information should refer to the safety technical instructions (SDS) provided by the chemical manufacturer and safety measures in accordance with local regulations.

Last Update：2024-04-09 21:01:54