2,4-Dihydroxybenzoic acid - CAS 89-86-1
Catalog: |
BB039651 |
Product Name: |
2,4-Dihydroxybenzoic acid |
CAS: |
89-86-1 |
Synonyms: |
beta-Resorcylic acid; 4-Carboxyresorcinol |
Application: |
(Chloromethyl)triphenylphosphonium iodide (CAS# 68089-86-1) is a useful research chemical compound. |
IUPAC Name: | 2,4-dihydroxybenzoic acid |
Description: | 2, 4-Dihydroxybenzoic acid is found in alcoholic beverages. |
Molecular Weight: | 154.12 |
Molecular Formula: | C7H6O4 |
Canonical SMILES: | C1=CC(=C(C=C1O)O)C(=O)O |
InChI: | InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) |
InChI Key: | UIAFKZKHHVMJGS-UHFFFAOYSA-N |
Boiling Point: | 414.8 °C at 760 mmHg |
Melting Point: | 225-227°C |
Flash Point: | 218.8°C |
Purity: | > 95 % |
Density: | 1.559 g/cm3 |
Appearance: | Powder |
Storage: | Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
MDL: | MFCD00002451 |
LogP: | 0.79600 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.0000021 [mmHg] |
GHS Hazard Statement: | H315 (90.74%): 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 |
22975258 | 20121030 | Degradation of 2,4-dihydroxibenzoic acid by vacuum UV process in aqueous solution: kinetic, identification of intermediates and reaction pathway | Journal of hazardous materials |
22684801 | 20120901 | Synthesis and characterization of molecules containing thiazole and oxazole moieties and study of ESIPT phenomenon | Journal of fluorescence |
22935498 | 20120901 | Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid-N'-(propan-2-ylidene)nicotinohydrazide (1/1) | Acta crystallographica. Section C, Crystal structure communications |
22593570 | 20120706 | Overexpression of the Coq8 kinase in Saccharomyces cerevisiae coq null mutants allows for accumulation of diagnostic intermediates of the coenzyme Q6 biosynthetic pathway | The Journal of biological chemistry |
22688038 | 20120630 | Polyphenols in red wine aged in acacia (Robinia pseudoacacia) and oak (Quercus petraea) wood barrels | Analytica chimica acta |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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