138490-94-5

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138490-94-5 Structure

Identification	Back Directory
[Name] 4-Formyl-2-hydroxy-3-iodoanisole
[CAS] 138490-94-5
[Synonyms] 2-Iodoisovanillin 4-Formyl-2-hydroxy-3-iodoanisole 3-Hydroxy-2-iodo-4-methoxybenzaldehyde Benzaldehyde, 3-hydroxy-2-iodo-4-methoxy- 3-Hydroxy-2-iodo-4-methoxybenzaldehyde 97% 2-Iodoisovanillin, 4-Formyl-2-hydroxy-3-iodoanisole
[Molecular Formula] C8H7IO3
[MDL Number] MFCD04129042
[MOL File] 138490-94-5.mol
[Molecular Weight] 278.05

Chemical Properties	Back Directory
[Melting point ] 167-174 °C
[Boiling point ] 304.8±42.0 °C(Predicted)
[density ] 1.909±0.06 g/cm3(Predicted)
[form ] solid
[pka] 7.80±0.15(Predicted)
[InChI] 1S/C8H7IO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3
[InChIKey] KLXKKFGRNPBWGM-UHFFFAOYSA-N
[SMILES] COc1ccc(C=O)c(I)c1O

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Synthesis Reference(s)] Journal of Medicinal Chemistry, 35, p. 466, 1992 DOI: 10.1021/jm00081a007

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