171050-06-9

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171050-06-9 Structure

Identification	Back Directory
[Name] 3-Cyano-4-fluorobenzoic acid
[CAS] 171050-06-9
[Synonyms] 4-Fluoro-3-cyanobenzoic acid 5-Carboxy-2-fluorobenzonitrile Benzoic acid, 3-cyano-4-fluoro-
[Molecular Formula] C8H4FNO2
[MDL Number] MFCD03094339
[MOL File] 171050-06-9.mol
[Molecular Weight] 165.12

Chemical Properties	Back Directory
[Melting point ] 187-188 °C
[Boiling point ] 322.4±27.0 °C(Predicted)
[density ] 1.42±0.1 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[pka] 3.58±0.10(Predicted)
[InChI] InChI=1S/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)
[InChIKey] JMHGATOBRPWPBZ-UHFFFAOYSA-N
[SMILES] C(O)(=O)C1=CC=C(F)C(C#N)=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P280-P305+P351+P338
[HS Code ] 2926907090

Spectrum Detail	Back Directory
[Spectrum Detail] 3-Cyano-4-fluorobenzoic acid(171050-06-9)¹HNMR

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