| Identification | More | [Name]
2,3,6-Trifluorobenzonitrile | [CAS]
136514-17-5 | [Synonyms]
2,3,6-TRIFLUOROBENZONITRILE
Benzonitrile, 2,3,6-trifluoro-(9CI)
3-flurobenzalcohol
2,3,6-Trifluorobenzonitrile 99%
2,3,6-Trifluorobenzonitrile99% | [Molecular Formula]
C7H2F3N | [MDL Number]
MFCD00012287 | [Molecular Weight]
157.09 | [MOL File]
136514-17-5.mol |
| Chemical Properties | Back Directory | [Boiling point ]
179°C | [density ]
1.359 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4706(lit.)
| [Fp ]
174 °F
| [storage temp. ]
Storage temp. 2-8°C | [form ]
liquid | [color ]
Clear, colourless | [Specific Gravity]
1.360 | [BRN ]
5427616 | [InChI]
InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H | [InChIKey]
YWTXHALVWAISPR-UHFFFAOYSA-N | [SMILES]
C(#N)C1=C(F)C=CC(F)=C1F | [CAS DataBase Reference]
136514-17-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi,Xn | [Risk Statements ]
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 ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36:Wear suitable protective clothing . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Questions And Answer | Back Directory | [Application]
2,3,6-Trifluorobenzonitrile is often used as an important intermediate in organic synthesis. By transforming the fluorine atoms on its benzene ring, a variety of organic molecules with specific structures and functions can be synthesized. Furthermore, it has some applications in the field of materials science, specifically in the structural modification of liquid crystal materials. |
| Hazard Information | Back Directory | [Chemical Properties]
2,3,6-Trifluorobenzonitrile is a colorless transparent liquid at room temperature and pressure, insoluble in water but miscible with common organic solvents. The fluorine atom at position 2 in its structure can be defluorinated under the attack of strong nucleophilic reagents, which can be used for the synthesis of biologically active molecules of polysubstituted benzonitrile. |
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