| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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 |
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