4-Chloro-7-(trifluoromethyl)quinoline - CAS 346-55-4
Catalog: |
BB022220 |
Product Name: |
4-Chloro-7-(trifluoromethyl)quinoline |
CAS: |
346-55-4 |
Synonyms: |
4-chloro-7-(trifluoromethyl)quinoline |
IUPAC Name: | 4-chloro-7-(trifluoromethyl)quinoline |
Description: | 4-Chloro-7-(trifluoromethyl)quinoline (CAS# 346-55-4) is a reagent in the preparation of piperazinylquinolines as breast cancer inhibitors. |
Molecular Weight: | 231.60 |
Molecular Formula: | C10H5ClF3N |
Canonical SMILES: | C1=CC2=C(C=CN=C2C=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H |
InChI Key: | LLRQVSZVVAKRJA-UHFFFAOYSA-N |
Boiling Point: | 265.5 °C at 760 mmHg |
Density: | 1.427 g/cm3 |
MDL: | MFCD00006775 |
LogP: | 3.90700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19896373 | 20091215 | Anti-tumoral activity of imidazoquines, a new class of antimalarials derived from primaquine | Bioorganic & medicinal chemistry letters |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0062613 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0062613 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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