| Identification | More | [Name]
3-Fluorobenzonitrile | [CAS]
403-54-3 | [Synonyms]
3-FLUOROBENZONITRILE
M-FLUOROBENZONITRILE
3-fluoro-benzonitril
Benzonitrile, m-fluoro-
m-Cyanofluorobenzene
m-Fluorobenzonitrile 3-Fluorobenzonitrile
3-Fluorobenzonitrile,98%
3-cyanofluorobenzene
M-FLUOROBENZONITILE
1-Cyano-3-fluorobenzene
1-Fluoro-3-cyanobenzene | [EINECS(EC#)]
206-963-5 | [Molecular Formula]
C7H4FN | [MDL Number]
MFCD00001797 | [Molecular Weight]
121.11 | [MOL File]
403-54-3.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Melting point ]
−16 °C(lit.)
| [Boiling point ]
182-183 °C753 mm Hg(lit.)
| [density ]
1.133 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5043(lit.)
| [Fp ]
154 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [color ]
Clear colorless to yellow | [Specific Gravity]
1.133 | [Detection Methods]
GC,NMR | [BRN ]
1858941 | [InChI]
InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H | [InChIKey]
JZTPKAROPNTQQV-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=CC(F)=C1 | [CAS DataBase Reference]
403-54-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzonitrile, 3-fluoro-(403-54-3) | [EPA Substance Registry System]
403-54-3(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
Many of the advances made in the Halex reaction have been applied to
fluorodenitration reactions, for example, 3-nitrobenzonitrile reacts with KF and catalytic
amounts of Ph4PBr to give 3-fluorobenzonitrile.
 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
S39:Wear eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 3276 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Toxic | [TSCA ]
T | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellow liquid | [Uses]
3-Fluorobenzonitrile has been used in the preparation of bis(3-cyanophenoxy)phenylenes. | [General Description]
Microwave spectrum of 3-fluorobenzonitrile has been studied. Amination of 3-fluorobenzonitrile with morpholine in DMSO at 100°C has been investigated. |
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