6-Hydroxyquinoline - CAS 580-16-5
Catalog: |
BB029901 |
Product Name: |
6-Hydroxyquinoline |
CAS: |
580-16-5 |
Synonyms: |
quinolin-6-ol |
IUPAC Name: | quinolin-6-ol |
Description: | 6-Hydroxyquinoline (CAS# 580-16-5) is used in the preparation of potential antifungal agents containing a quinoline structure. Also used in the preparation of novel pyridocoumarins. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)O)N=C1 |
InChI: | InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H |
InChI Key: | OVYWMEWYEJLIER-UHFFFAOYSA-N |
Boiling Point: | 313 °C at 760 mmHg |
Melting Point: | 188-195 °C |
Purity: | 98 % |
Density: | 1.26 g/cm3 |
Appearance: | Light brown to grey powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00047611 |
LogP: | 1.94040 |
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 |
WO-2021105497-A1 | Small-molecule nadph oxidase 2 inhibitors | 20191129 |
US-2021154179-A1 | Substituted pyridines and methods of use | 20191122 |
WO-2021102468-A1 | Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors | 20191122 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021041237-A1 | Thyroid hormone receptor beta agonist compounds | 20190823 |
PMID | Publication Date | Title | Journal |
30896932 | 20190415 | Bioactivation of Quinolines in a Recombinant Estrogen Receptor Transactivation Assay Is Catalyzed by N-Methyltransferases | Chemical research in toxicology |
22907041 | 20121005 | Excited-state proton transfer and ion pair formation in a Cinchona organocatalyst | Physical chemistry chemical physics : PCCP |
21603100 | 20110516 | Molecular data and ploidal levels indicate several putative allopolyploidization events in the genus Potentilla (Rosaceae) | PLoS currents |
21141974 | 20110113 | Excited-state proton transfer via hydrogen-bonded acetic acid (AcOH) wire for 6-hydroxyquinoline | The journal of physical chemistry. A |
20853278 | 20101108 | Excited-state prototropic equilibrium dynamics of 6-hydroxyquinoline encapsulated in microporous catalytic faujasite zeolites | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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