| Identification | Back Directory | [Name]
2-FLUORO-4-FORMYL-BENZONITRILE | [CAS]
101048-76-4 | [Synonyms]
4-CYANO-3-FLUOROBENZALDEHYDE
3-Fluoro-4-Cyanobenzaldehyde
2-FLUORO-4-FORMYL-BENZONITRILE
Benzonitrile, 2-fluoro-4-formyl-
2-Fluoro-4-formylbenzonitrile 98%
2-fluoro-4-formylbenzenecarbonitrile
Benzonitrile, 2-fluoro-4-formyl- (9CI) | [Molecular Formula]
C8H4FNO | [MDL Number]
MFCD06738989 | [MOL File]
101048-76-4.mol | [Molecular Weight]
149.12 |
| Chemical Properties | Back Directory | [Melting point ]
80-84 °C(lit.)
| [Boiling point ]
276.4±25.0 °C(Predicted) | [density ]
1.25±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
solid | [color ]
White to off-white | [InChI]
1S/C8H4FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H | [InChIKey]
MYUPCEIJNBAAFL-UHFFFAOYSA-N | [SMILES]
Fc1cc(C=O)ccc1C#N |
| Hazard Information | Back Directory | [Synthesis]
Example 16b Preparation of 2-fluoro-4-formylbenzonitrile: Pyridinium chlorochromate (7.39 g, 34.27 mmol) was added to a solution of 2-fluoro-4-(hydroxymethyl)benzylcarbonitrile (5.18 g, 34.27 mmol) in methylene chloride (150 mL). The reaction mixture was stirred at room temperature for 4 hours. Upon completion of the reaction, the mixture was allowed to undergo rapid filtration through a short silica gel pad and the silica gel pad was washed with dichloromethane. The filtrates were combined and concentrated under reduced pressure to give 2-fluoro-4-formylbenzonitrile as a white solid (4.6 g, 90% yield). | [References]
[1] Journal of Medicinal Chemistry, 2003, vol. 46, # 14, p. 2973 - 2984
[2] Patent: US2008/119457, 2008, A1. Location in patent: Page/Page column 51
[3] Patent: US2003/220241, 2003, A1
[4] Patent: US2003/220241, 2003, A1
[5] Patent: US2003/87940, 2003, A1 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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