4-Chloro-2,8-bis(trifluoromethyl)quinoline - CAS 83012-13-9
Catalog: |
BB036953 |
Product Name: |
4-Chloro-2,8-bis(trifluoromethyl)quinoline |
CAS: |
83012-13-9 |
Synonyms: |
4-chloro-2,8-bis(trifluoromethyl)quinoline |
IUPAC Name: | 4-chloro-2,8-bis(trifluoromethyl)quinoline |
Description: | 4-Chloro-2,8-bis(trifluoromethyl)quinoline (CAS# 83012-13-9) is a useful research chemical. |
Molecular Weight: | 299.60 |
Molecular Formula: | C11H4ClF6N |
Canonical SMILES: | C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Cl)C(F)(F)F |
InChI: | InChI=1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H |
InChI Key: | ZSQOESPYYNJBCZ-UHFFFAOYSA-N |
Boiling Point: | 251.8 °C at 760 mmHg |
Density: | 1.53 g/cm3 |
Appearance: | Color white powder |
MDL: | MFCD00075104 |
LogP: | 4.92580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20537437 | 20100801 | New quinoline derivatives: synthesis and investigation of antibacterial and antituberculosis properties | European journal of medicinal chemistry |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.9936458 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.9936458 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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