| Identification | More | [Name]
2,4-Difluorobenzonitrile | [CAS]
3939-09-1 | [Synonyms]
2,4-DIFLUOROBENZONITRILE
2,4-difluorobenzonilyile
2，4-difluorobenzotrile
2,4-Difluorobenzonitrile,98%
2,4-Difluorobenzonitrile 98%
2,4-Difluorobenzenecarbonitrile
2,4-DIFLUOROBENZONITRILE 97+%
CASNO: 3939-9-1 | [EINECS(EC#)]
223-523-8 | [Molecular Formula]
C7H3F2N | [MDL Number]
MFCD00009826 | [Molecular Weight]
139.1 | [MOL File]
3939-09-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline solid | [Melting point ]
47-49 °C (lit.) | [Boiling point ]
189°C | [density ]
1.246 | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline | [color ]
White to Almost white | [BRN ]
1940316 | [InChI]
InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H | [InChIKey]
LJFDXXUKKMEQKE-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(F)C=C1F | [CAS DataBase Reference]
3939-09-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,Xi | [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 .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3
| [Hazard Note ]
Toxic | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline solid | [Uses]
2,4-Difluorobenzonitrile has been used in the synthesis of:
- 2-methylsulfonyl-4-fluorobenzylamine
- fluoro-3-amino-1,2-benzisoxazoles
| [General Description]
2,4-Difluorobenzonitrile undergoes polycondensation with Bisphenol A and matrix-assisted laser desorption/time-of-flight mass spectra revealed a quantitative formation of cyclic oligoethers and polyethers. | [Synthesis]
General procedure for the synthesis of 2,4-difluorobenzonitrile from 2,4-difluorobenzamide: In a 250 mL three-necked flask, 2,4-difluorobenzamide (23.0 g, 146.2 mmol) was dissolved in dry N,N-dimethylformamide (80 mL), and cooled to -15°C. The reaction was continued for 0.5 h at room temperature. Phosphorus oxychloride (112.1 g, 730.9 mmol) was slowly added dropwise and the reaction was kept for 0.5 h. The reaction was then continued for 7 h at room temperature. Upon completion of the reaction, the reaction solution was slowly poured into a vessel containing ice to induce precipitation of solids. Finally, 17.0 g of 2,4-difluorobenzonitrile was obtained in 83.4% yield. | [References]
[1] Patent: CN106854165, 2017, A. Location in patent: Paragraph 0104; 0105; 0136; 0137 |
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