2,4,6-Trimethoxybenzaldehyde - CAS 830-79-5
Catalog: |
BB036963 |
Product Name: |
2,4,6-Trimethoxybenzaldehyde |
CAS: |
830-79-5 |
Synonyms: |
2,4,6-trimethoxybenzaldehyde |
IUPAC Name: | 2,4,6-trimethoxybenzaldehyde |
Description: | 2,4,6-Trimethoxybenzaldehyde (CAS# 830-79-5) is a reagent used in the synthesis of anticancer/antiproliferative chalcones, chromenones and flavonols. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | COC1=CC(=C(C(=C1)OC)C=O)OC |
InChI: | InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3 |
InChI Key: | CRBZVDLXAIFERF-UHFFFAOYSA-N |
Boiling Point: | 339.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.133 g/cm3 |
Appearance: | Pink crystal power |
MDL: | MFCD00003313 |
LogP: | 1.52490 |
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 |
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PMID | Publication Date | Title | Journal |
24010893 | 20130908 | Anti-Candida properties of asaronaldehyde of Acorus gramineus rhizome and three structural isomers | Chinese medicine |
22606151 | 20120401 | Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimeth-oxy-benzyl-idene)-2,3-dihydro-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22220082 | 20111101 | (E)-1-(Thio-phen-2-yl)-3-(2,4,6-tri-meth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22065835 | 20111001 | (2E)-1-(Pyridin-2-yl)-3-(2,4,6-trimeth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21522745 | 20101204 | (1E,4E)-1,5-Bis(2,4,6-trimeth-oxy-phen-yl)penta-1,4-dien-3-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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