ChemicalBook--->CAS DataBase List--->138490-94-5

138490-94-5

138490-94-5 Structure

138490-94-5 Structure
IdentificationBack 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 PropertiesBack 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 DataBack 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 InformationBack Directory
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 35, p. 466, 1992 DOI: 10.1021/jm00081a007
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