4-Bromo-8-trifluoromethylquinoline - CAS 260973-10-2
Catalog: |
BB019129 |
Product Name: |
4-Bromo-8-trifluoromethylquinoline |
CAS: |
260973-10-2 |
Synonyms: |
4-bromo-8-(trifluoromethyl)quinoline |
IUPAC Name: | 4-bromo-8-(trifluoromethyl)quinoline |
Description: | 4-Bromo-8-trifluoromethylquinoline (CAS# 260973-10-2) is a useful research chemical. |
Molecular Weight: | 276.05 |
Molecular Formula: | C10H5BrF3N |
Canonical SMILES: | C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Br |
InChI: | InChI=1S/C10H5BrF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H |
InChI Key: | ZLLWNTMVQORUCR-UHFFFAOYSA-N |
Boiling Point: | 301.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.658 g/cm3 |
LogP: | 4.01610 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
CN-110218182-B | IDO inhibitors | 20180301 |
AU-2018375308-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
WO-2019108565-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.95575 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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