ChemicalBook--->CAS DataBase List--->57381-51-8

57381-51-8

57381-51-8 Structure

57381-51-8 Structure
IdentificationMore
[Name]

4-Chloro-2-fluorobenzonitrile
[CAS]

57381-51-8
[Synonyms]

2-FLUORO-4-CHLOROBENZONITRILE
4-CHLORO-2-FLUOROBENZONITRILE
4-Chloro-2-Fluorobenzonitrile 2-Fluoro-4-Chlorobenzonitrile
4-Chloro-2-fluorobenzonitrile 97%
4-Chloro-2-fluorobenzonitrile97%
4-CHLORO-2-FLUOROBENZONITRILE 99.5+%
4-Chloro-2-fluorobenzonitrile, 98+%
Benzonitrile, 4-chloro-2-fluoro-
[EINECS(EC#)]

260-712-4
[Molecular Formula]

C7H3ClFN
[MDL Number]

MFCD00143284
[Molecular Weight]

155.56
[MOL File]

57381-51-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

58-61 °C
[Boiling point ]

92/22mm
[density ]

1.3760 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Light yellow to Light orange
[Water Solubility ]

insoluble
[BRN ]

4231142
[InChI]

InChI=1S/C7H3ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
[InChIKey]

JRDMGVGCATYZPW-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(Cl)C=C1F
[CAS DataBase Reference]

57381-51-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

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 ]

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

3439
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chloro-2-fluorobenzonitrile(57381-51-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Uses]

4-Chloro-2-fluorobenzonitrile acts as a substrate in in situ 19F NMR titration with Au20Mn2 to verify the inner-sphere single electron transfer mechanism[1].
[References]

[1]Lv, B., Ling, F., & Soulé, J. (2025). Ir/Ni Metallaphotoredox Catalysis for the C(sp<sup>3</sup>)─H Bond α‐Arylation and Alkylation of N‐Alkyl N‐Heterocycles. Chemistry – A European Journal, 31(33). https://doi.org/10.1002/chem.202500938
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-2-fluorobenzonitrile(57381-51-8)MS
4-Chloro-2-fluorobenzonitrile(57381-51-8)IR1
4-Chloro-2-fluorobenzonitrile(57381-51-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloro-2-fluorobenzonitrile, 99.5+%(57381-51-8)
[Alfa Aesar]

4-Chloro-2-fluorobenzonitrile, 98+%(57381-51-8)
[TCI AMERICA]

4-Chloro-2-fluorobenzonitrile,>98.0%(GC)(57381-51-8)
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