5-Iodovanillin - CAS 5438-36-8
Catalog: |
BB028631 |
Product Name: |
5-Iodovanillin |
CAS: |
5438-36-8 |
Synonyms: |
4-hydroxy-3-iodo-5-methoxybenzaldehyde |
IUPAC Name: | 4-hydroxy-3-iodo-5-methoxybenzaldehyde |
Description: | 5-Iodovanillin (CAS# 5438-36-8) is used in lacCASe catalyzed synthesis of iodinated phenolic compounds with antifungal activity. Molecular modeling studies of interaction between plasmid DNA (pBR322) and dendritic antioxidants. |
Molecular Weight: | 278.04 |
Molecular Formula: | C8H7IO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C=O)I)O |
InChI: | InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
InChI Key: | FBBCSYADXYILEH-UHFFFAOYSA-N |
Boiling Point: | 304.1 ℃ at 760 mmHg |
Density: | 1.909 g/cm3 |
MDL: | MFCD00006941 |
LogP: | 1.81790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111606795-A | Iodine-labeled curcumin and application thereof as amyloid deposit developer | 20200603 |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
DE-102019218788-A1 | Multi-tonal hair coloring process in three steps | 20191203 |
WO-2021110306-A1 | Multi-tone hair dyeing method in three steps | 20191203 |
CN-112110932-A | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 20190621 |
PMID | Publication Date | Title | Journal |
12511105 | 20021201 | Vibrational analysis of substituted phenols: part II. Transferability of valence force constants | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.94399 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.94399 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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