ChemicalBook--->CAS DataBase List--->50594-78-0

50594-78-0

50594-78-0 Structure

50594-78-0 Structure
IdentificationMore
[Name]

5-FLUORO-2-NITROBENZONITRILE
[CAS]

50594-78-0
[Synonyms]

5-FLUORO-2-NITROBENZONITRILE
5-Fluoro-2-nitrobenzonitrile 98%
5-Fluoro-2-nitrobenzonitrile98%
2-Cyano-4-fluoro-1-nitrobenzene
[EINECS(EC#)]

642-493-0
[Molecular Formula]

C7H3FN2O2
[MDL Number]

MFCD01632196
[Molecular Weight]

166.11
[MOL File]

50594-78-0.mol
Chemical PropertiesBack Directory
[Melting point ]

84-88°C
[Boiling point ]

302.9±27.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[form ]

Powder
[Appearance]

White to yellow Solid
[CAS DataBase Reference]

50594-78-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3439
[Hazard Note ]

Irritant/Keep Cold
[HazardClass ]

6.1
[PackingGroup ]

Ⅲ
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

5-FLUORO-2-NITROBENZONITRILE(50594-78-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-FLUORO-2-NITROBENZAMIDE

77206-97-4

5-FLUORO-2-NITROBENZONITRILE

50594-78-0

The general procedure for the synthesis of 2-nitro-5-fluorobenzonitrile from 5-fluoro-2-nitrobenzamide was as follows: dry DMF (70 mL) was cooled to -10 °C and thionyl chloride (6 mL, 82 mmol) was added slowly and dropwise over 10 min. Subsequently, 5-fluoro-2-nitrobenzoic acid (15.04 g, 82 mmol) was added in batches over 1 hour. After the reaction mixture was gradually warmed to room temperature, it was poured into water (200 mL). The precipitate formed was collected by filtration, washed with water and dried to afford the target product 2-nitro-5-fluorobenzonitrile as a colorless solid (10.7 g, 79% yield). The structure of the product was confirmed by 1H NMR (CDCl3): δ 8.41 (1H, m), 7.62 (1H, m), 7.52 (1H, m).

[References]

[1] Patent: WO2006/129120, 2006, A2. Location in patent: Page/Page column 78
[2] Patent: US2010/280268, 2010, A1. Location in patent: Page/Page column 46
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