2,4-Dimethoxybenzaldehyde - CAS 613-45-6
Catalog: |
BB031064 |
Product Name: |
2,4-Dimethoxybenzaldehyde |
CAS: |
613-45-6 |
Synonyms: |
2,4-dimethoxybenzaldehyde |
IUPAC Name: | 2,4-dimethoxybenzaldehyde |
Description: | A component of hair dyes. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C=O)OC |
InChI: | InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3 |
InChI Key: | LWRSYTXEQUUTKW-UHFFFAOYSA-N |
Boiling Point: | 165 °C (10 mmHg) |
Melting Point: | 68-72 °C |
Purity: | > 98.0 % (GC) |
Density: | 16510 g/cm3 |
Appearance: | White solid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003311 |
LogP: | 1.51630 |
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 |
22915091 | 20121014 | The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine | Organic & biomolecular chemistry |
22502535 | 20120414 | Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: a comparison with benzaldehyde | The Journal of chemical physics |
22259440 | 20120101 | (E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22319609 | 20120101 | Can phlorotannins purified extracts constitute a novel pharmacological alternative for microbial infections with associated inflammatory conditions? | PloS one |
22586448 | 20120101 | Nicotinic acetylcholine receptor agonists attenuate septic acute kidney injury in mice by suppressing inflammation and proteasome activity | PloS one |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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