4-Bromo-7-chloroquinoline - CAS 98519-65-4
Catalog: |
BB042175 |
Product Name: |
4-Bromo-7-chloroquinoline |
CAS: |
98519-65-4 |
Synonyms: |
4-bromo-7-chloroquinoline |
IUPAC Name: | 4-bromo-7-chloroquinoline |
Description: | 4-Bromo-7-chloroquinoline (CAS# 98519-65-4) is a chemical reagent in the synthesis of autophagy antitumor inhibitors, as well as antifungal agents. |
Molecular Weight: | 242.50 |
Molecular Formula: | C9H5BrClN |
Canonical SMILES: | C1=CC2=C(C=CN=C2C=C1Cl)Br |
InChI: | InChI=1S/C9H5BrClN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H |
InChI Key: | IVPHNMMNLBTDRQ-UHFFFAOYSA-N |
Boiling Point: | 331.348 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.673 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD07700232 |
LogP: | 3.65070 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020243037-A1 | Bisaminoquinolines and bisaminoacridines compounds and methods of their use | 20190524 |
US-2020108071-A1 | Imidazopyrimidine derivatives | 20181003 |
WO-2020072656-A1 | Imidozopyrimidine derivatives | 20181003 |
EP-3860717-A1 | Imidozopyrimidine derivatives | 20181003 |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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Related Functional Groups
Quinoline/Isoquinoline
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