5-Bromo-8-nitroisoquinoline - CAS 63927-23-1
Catalog: |
BB032324 |
Product Name: |
5-Bromo-8-nitroisoquinoline |
CAS: |
63927-23-1 |
Synonyms: |
5-bromo-8-nitroisoquinoline |
IUPAC Name: | 5-bromo-8-nitroisoquinoline |
Description: | 5-Bromo-8-nitroisoquinoline (CAS# 63927-23-1) is a useful research chemical. |
Molecular Weight: | 253.05 |
Molecular Formula: | C9H5BrN2O2 |
Canonical SMILES: | C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])Br |
InChI: | InChI=1S/C9H5BrN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5H |
InChI Key: | ULGOLOXWHJEZNZ-UHFFFAOYSA-N |
Boiling Point: | 386.9 °C at 760 mmHg |
Melting Point: | 136-140 °C |
Purity: | 95 % |
Density: | 1.747 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD02091227 |
LogP: | 3.42870 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112500342-A | Synthesis method of 8-methoxyisoquinoline | 20201120 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
AU-2011273931-A1 | 2,4- diaryl - substituted [1,8] naphthyridines as kinase inhibitors for use against cancer | 20100628 |
AU-2011273931-B2 | 2,4- diaryl - substituted [1,8] naphthyridines as kinase inhibitors for use against cancer | 20100628 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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