| Identification | Back Directory | [Name]
2-FLUORO-6-METHYLBENZONITRILE | [CAS]
198633-76-0 | [Synonyms]
2-Cyano-3-fluorotoluene
Benzonitrile, 2-fluoro-6-methyl-
2-Cyano-3-fluorotoluene, 6-Fluoro-o-tolunitrile | [Molecular Formula]
C8H6FN | [MDL Number]
MFCD06660277 | [MOL File]
198633-76-0.mol | [Molecular Weight]
135.14 |
| Chemical Properties | Back Directory | [Melting point ]
39-46 °C | [Boiling point ]
207.4±20.0 °C(Predicted) | [density ]
1.11±0.1 g/cm3(Predicted) | [Fp ]
91 °C | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [color ]
White to Orange to Green | [InChI]
InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3 | [InChIKey]
UCSKOUQDVWADGZ-UHFFFAOYSA-N | [SMILES]
C(#N)C1=C(C)C=CC=C1F |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
37/38-41 | [Safety Statements ]
26-39 | [RIDADR ]
UN 3439 6.1/PG III | [WGK Germany ]
3 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2926907090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 2-fluoro-6-methylbenzonitrile from 2-chloro-6-methylbenzonitrile was as follows: a mixture of 2-chloro-6-methylbenzonitrile (5 g, 33.0 mmol) and CsF (14 g, 92.2 mmol) in DMSO (30 ml) was heated and reacted for 15 hours at 140°C. After completion of the reaction, the mixture was cooled to room temperature, diluted with water and subsequently extracted with dichloromethane. The organic layer was washed with brine, dried over anhydrous sodium sulfate and concentrated to give the target product 2-fluoro-6-methylbenzonitrile (2.93 g, 66% yield). | [References]
[1] Patent: US6506747, 2003, B1 |
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