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403-54-3

403-54-3 Structure

403-54-3 Structure
IdentificationMore
[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 PropertiesBack 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
[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 AnswerBack 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.
3-Fluorobenzonitrile
Safety DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Fluorobenzylamine-->3-Cyanophenylboronic acid-->3-FLUOROBENZALDOXIME-->3-FLUOROBENZAMIDE-->3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE-->3-Cyanobenzaldehyde-->3-Fluorophenylacetic acid-->3-Fluorobenzyl alcohol-->Propanedinitrile, 2-(dimethylamino)--->1-Fluoro-3-iodobenzene-->ZINC CYANIDE-->Urea-->3-Nitrobenzonitrile
[Preparation Products]

1-(3-CYANOPHENYL)PIPERAZINE-->1-(3-CYANOBENZYL)PIPERAZINE-->3-FLUORO-BENZAMIDINE-->3-FLUORO-N-HYDROXY-BENZAMIDINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Fluorobenzonitrile(403-54-3).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluorobenzonitrile(403-54-3)MS
3-Fluorobenzonitrile(403-54-3)1HNMR
3-Fluorobenzonitrile(403-54-3)13CNMR
3-Fluorobenzonitrile(403-54-3)IR1
3-Fluorobenzonitrile(403-54-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Fluorobenzonitrile, 98%(403-54-3)
[Alfa Aesar]

3-Fluorobenzonitrile, 98%(403-54-3)
[Sigma Aldrich]

403-54-3(sigmaaldrich)
[TCI AMERICA]

3-Fluorobenzonitrile,>98.0%(GC)(403-54-3)
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