731002-50-9

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731002-50-9 Structure

Identification	Back Directory
[Name] 3-hydroxy-4-(trifluoromethyl)benzonitrile
[CAS] 731002-50-9
[Synonyms] Benzonitrile, 3-hydroxy-4-(trifluoromethyl)-
[Molecular Formula] C8H4F3NO
[MDL Number] MFCD16999170
[MOL File] 731002-50-9.mol
[Molecular Weight] 187.12

Chemical Properties	Back Directory
[Melting point ] 188-189 °C(Solv: dichloromethane (75-09-2))
[Boiling point ] 244.7±40.0 °C(Predicted)
[density ] 1.44±0.1 g/cm3(Predicted)
[pka] 6.60±0.35(Predicted)
[InChI] InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3,13H
[InChIKey] PDMCDRCXQZBLGY-UHFFFAOYSA-N
[SMILES] C(#N)C1=CC=C(C(F)(F)F)C(O)=C1

Safety Data	Back Directory
[HS Code ] 2926907090

Spectrum Detail	Back Directory
[Spectrum Detail] 3-hydroxy-4-(trifluoromethyl)benzonitrile(731002-50-9)¹HNMR

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