940911-03-5

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940911-03-5 Structure

Identification	Back Directory
[Name] 5-ETHYNYLPICOLINALDEHYDE
[CAS] 940911-03-5
[Synonyms] PCA alkyne 5-ETHYNYLPICOLINALDEHYDE 5-ethynylpyridine-2-carbaldehyde 2-Pyridinecarboxaldehyde, 5-ethynyl-
[Molecular Formula] C8H5NO
[MDL Number] MFCD18256079
[MOL File] 940911-03-5.mol
[Molecular Weight] 131.13

Chemical Properties	Back Directory
[Melting point ] 121-122 °C
[Boiling point ] 231.3±25.0 °C(Predicted)
[density ] 1.15±0.1 g/cm3(Predicted)
[storage temp. ] Inert atmosphere,2-8°C
[pka] 2.20±0.10(Predicted)
[InChI] InChI=1S/C8H5NO/c1-2-7-3-4-8(6-10)9-5-7/h1,3-6H
[InChIKey] KGQQNIMWZHCSCK-UHFFFAOYSA-N
[SMILES] C1(C=O)=NC=C(C#C)C=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P261-P280-P305+P351+P338-P304+P340-P405-P501

Spectrum Detail	Back Directory
[Spectrum Detail] 5-ETHYNYLPICOLINALDEHYDE(940911-03-5)¹HNMR

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