6-Nitroquinoline - CAS 613-50-3
Catalog: |
BB031068 |
Product Name: |
6-Nitroquinoline |
CAS: |
613-50-3 |
Synonyms: |
Quinoline, 6-nitro-; NSC 4141 |
IUPAC Name: | 6-nitroquinoline |
Molecular Weight: | 174.16 |
Molecular Formula: | C9H6N2O2 |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1 |
InChI: | InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H |
InChI Key: | SMHPLBXIVNQFBA-UHFFFAOYSA-N |
Boiling Point: | 170°C |
Melting Point: | 151-154°C |
Purity: | ≥95% |
Density: | 1.354±0.06 g/cm3 |
Solubility: | Soluble in Water (Slightly) |
Appearance: | Beige to light brown powder |
Storage: | Store at RT |
MDL: | MFCD00006799 |
LogP: | 2.66620 |
Vapor Pressure: | 0.000138 [mmHg] |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264876-A | Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation | 20210528 |
CN-112250630-A | Method for preparing sulfone and N-oxygen compound by green and efficient oxidation system | 20200923 |
CN-111393336-A | Sulfonamide compound, and metal-free catalysis construction method and application thereof | 20200309 |
CN-111099986-A | Hydrogenation process | 20191213 |
CN-113024458-A | Method for realizing oxidative dehydrogenation of nitrogen-containing heterocycle by biomass-based carbon material | 20191209 |
PMID | Publication Date | Title | Journal |
22417220 | 20120406 | Hypoxia-selective, enzymatic conversion of 6-nitroquinoline into a fluorescent helicene: pyrido[3,2-f]quinolino[6,5-c]cinnoline 3-oxide | The Journal of organic chemistry |
18634123 | 20080801 | Doping control analysis of tricyclic tetrahydroquinoline-derived selective androgen receptor modulators using liquid chromatography/electrospray ionization tandem mass spectrometry | Rapid communications in mass spectrometry : RCM |
11433773 | 20010601 | [Formations and reactions of aromatic furazan compounds] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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