5-Nitroisoquinoline - CAS 607-32-9
Catalog: |
BB030785 |
Product Name: |
5-Nitroisoquinoline |
CAS: |
607-32-9 |
Synonyms: |
5-nitroisoquinoline |
IUPAC Name: | 5-nitroisoquinoline |
Description: | 5-Nitroisoquinoline (CAS# 607-32-9) is a compound useful in organic synthesis. |
Molecular Weight: | 174.16 |
Molecular Formula: | C9H6N2O2 |
Canonical SMILES: | C1=CC2=C(C=CN=C2)C(=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H |
InChI Key: | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
Boiling Point: | 340 °C |
Melting Point: | 106-110 °C |
Purity: | 95 % |
Density: | 1.354 g/cm3 |
Appearance: | Light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006905 |
LogP: | 2.66620 |
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-2021032148-A1 | Aminopyrazine compounds as hpk1 inhibitor and the use thereof | 20190821 |
WO-2021028928-A1 | System and method for determining onset and disease progression | 20190813 |
US-2021261540-A1 | Inhibitors of sarm1 | 20180607 |
JP-2019197634-A | Non-aqueous electrolyte | 20180508 |
CN-108558758-A | A kind of synthetic method of 4- fluorine isoquinolin -5- amine | 20180412 |
PMID | Publication Date | Title | Journal |
22728969 | 20121001 | Experimental and theoretical quantum chemical investigations of 8-hydroxy-5-nitroquinoline | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
18661950 | 20080905 | Selective ortho methylation of nitroheteroaryls by vicarious nucleophilic substitution | The Journal of organic chemistry |
12480303 | 20030201 | Implication of nitro group reduction in the mutagenic and chromosome damaging activities of 22 new 5-nitroisoquinolines by the Salmonella mutagenicity test and the cytokinesis-blocked micronucleus assay | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
12393141 | 20021101 | An expeditious synthesis of cytotoxic pyrroloisoquinoline derivatives. Structure-activity comparative studies with isomeric pyrroloquinolines | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
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: | 1.9 |
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