6-Bromo-1-chloroisoquinoline - CAS 205055-63-6
Catalog: |
BB016019 |
Product Name: |
6-Bromo-1-chloroisoquinoline |
CAS: |
205055-63-6 |
Synonyms: |
6-bromo-1-chloroisoquinoline; 6-bromo-1-chloroisoquinoline |
IUPAC Name: | 6-bromo-1-chloroisoquinoline |
Description: | 6-Bromo-1-chloroisoquinoline has been used as a reactant in the preparation of phenylimidazoles as Smoothened antagonists. |
Molecular Weight: | 242.50 |
Molecular Formula: | C9H5BrClN |
Canonical SMILES: | C1=CC2=C(C=CN=C2Cl)C=C1Br |
InChI: | InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H |
InChI Key: | VOAHGGQULSSGQW-UHFFFAOYSA-N |
Boiling Point: | 349.497 °C at 760 mmHg |
Density: | 1.673 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06738661 |
LogP: | 3.65070 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021155195-A1 | Compositions and methods for treating neurodegenerative, neurodevelopmental, myodegenerative, and lysosomal storage disorders | 20200129 |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
WO-2021103770-A1 | Compound and application thereof | 20191125 |
WO-2020264490-A1 | Irak degraders and uses thereof | 20190628 |
CN-108929270-A | A kind of synthesis of the disubstituted nitrogenous heterocyclic aminated compounds of pharmaceutical intermediate | 20180815 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.92939 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.92939 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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Related Functional Groups
Quinoline/Isoquinoline
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