2,4-Dihydroxybenzaldehyde - CAS 95-01-2
Catalog: |
BB041600 |
Product Name: |
2,4-Dihydroxybenzaldehyde |
CAS: |
95-01-2 |
Synonyms: |
Benzaldehyde, 2,4-dihydroxy-; β-Resorcylaldehyde; 2,4-Dihydroxybenzenecarbonal; 2,4-Dihydroxysalicylaldehyde; 4-Formylbenzene-1,3-diol; 4-Formylresorcinol; 4-Hydroxysalicylaldehyde; 6-Formylresorcinol; NC 012; NSC 8690; β-Resorcaldehyde; β-Resorcinaldehyde; β-Resorcylic aldehyde |
Related CAS: | 1060789-59-4 (Deleted CAS) 2295913-47-0 (Deleted CAS) |
IUPAC Name: | 2,4-dihydroxybenzaldehyde |
Molecular Weight: | 138.12 |
Molecular Formula: | C7H6O3 |
Canonical SMILES: | C1=CC(=C(C=C1O)O)C=O |
InChI: | InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H |
InChI Key: | IUNJCFABHJZSKB-UHFFFAOYSA-N |
Boiling Point: | 85-90°C |
Melting Point: | 135°C |
Purity: | 95% |
Density: | 1.409±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Pale Beige to Pale Orange Solid |
Storage: | Store at -20°C |
MDL: | MFCD00011686 |
LogP: | 0.91030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22688038 | 20120630 | Polyphenols in red wine aged in acacia (Robinia pseudoacacia) and oak (Quercus petraea) wood barrels | Analytica chimica acta |
21523547 | 20120101 | Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes | Journal of molecular modeling |
23019438 | 20120101 | Asymmetric total synthesis of smyrindiol employing an organocatalytic aldol key step | Beilstein journal of organic chemistry |
22199602 | 20111201 | [S-Allyl-4-(4-hy-droxy-2-oxidobenzyl-idene-κO)-1-(2-oxidobenzyl-idene-κO)isothio-semicarbazidato-κN,N](ethanol-κO)dioxido-uranium(VI) ethanol monosolvate | Acta crystallographica. Section E, Structure reports online |
21846387 | 20110816 | Ligand substitution reactions of a phenolic quinolyl hydrazone; oxidovanadium (IV) complexes | Chemistry Central journal |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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