Identification | More | [Name]
3-Trifluoromethylbenzylcyanide | [CAS]
2338-76-3 | [Synonyms]
1-(3-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE 2-[3-(TRIFLUOROMETHYL)PHENYL]ACETONITRILE 3-(TRIFLUOROMETHYL)BENZYL CYANIDE 3-TRIFLUOROMETHYLBENZYLNITRILE 3-(TRIFLUOROMETHYL)PHENYLACETONITRILE M-TRIFLUOROMETHYLBENZYL CYANIDE M-(TRIFLUOROMETHYL)PHENYLACETONITRILE (alpha,alpha,alpha-trifluoro-m-tolyl)-acetonitril (alpha,alpha,alpha-Trifluoro-m-tolyl)acetonitrile 3-(trifluoromethyl)-benzeneacetonitril 3-(Trifluoromethyl)benzeneacetonitrile 3-Trifluormethylbenzylcyanide Acetonitrile, (alpha,alpha,alpha-trifluoro-m-tolyl)- 3-(Trifluoromethyl)ohenylacetonitrile 3-(TRIFLUOROMETHYL)PHENYLACETONITRILE, 9 7% 3-(Trifluoromethyl)phenylacetonitrile 97% BENZENEACETONITRILE,3-(TRIFLUOROMETHYL)- META-TRIFLUOROMETHYLPHENYLACETONITRILE (a,a,a-Trifluoro-m-tolyl)acetonitrile | [EINECS(EC#)]
219-053-8 | [Molecular Formula]
C9H6F3N | [MDL Number]
MFCD00001913 | [Molecular Weight]
185.15 | [MOL File]
2338-76-3.mol |
Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R10:Flammable. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S27:Take off immediately all contaminated clothing . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
CY1820000
| [Hazard Note ]
Irritant | [TSCA ]
T | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29269090 |
Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW-BROWN LIQUID | [Uses]
3-(Trifluoromethyl)phenylacetonitrile may be used in chemical synthesis studies. | [Synthesis]
The general procedure for the synthesis of m-trifluoromethylphenylacetonitrile from the compound (CAS: 773837-37-9) and 3-trifluoromethylbenzyl chloride was as follows: An aqueous solution of sodium cyanide was prepared by adding 61.7 g of sodium cyanide and 112 g of water to a 250 mL beaker and stirring for 2 h until completely dissolved. Add 235 g of 2,3-trifluoromethylbenzyl chloride and 2.5 g of triethylbenzylammonium chloride to a 500 mL three-necked flask, and heat to 60°C. The temperature is controlled at 55~65°C. The aqueous sodium cyanide solution prepared above was slowly added dropwise under the temperature control of 55~65°C. After the dropwise addition was completed, the reaction temperature was maintained at 60°C for 8 hours. Samples were taken for HPLC analysis during the reaction to ensure that the mass fraction of 3-trifluoromethylbenzyl chloride was less than 0.5%. After completion of the reaction, it was cooled to room temperature and left to stratify. The aqueous layer was washed twice with 50 g of water, all aqueous layers were combined and treated with 5% sodium hypochlorite solution. The oil layer was distilled under reduced pressure and the 94-97 °C fraction was collected at -0.095 MPa to give 204 g of m-trifluoromethylbenzylacetonitrile with a product purity ≥94.0% and a yield of 91%. | [References]
[1] Patent: CN106349006, 2017, A. Location in patent: Paragraph 0007; 0024; 0037 |
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