4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline - CAS 91991-82-1
Catalog: |
BB040405 |
Product Name: |
4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline |
CAS: |
91991-82-1 |
Synonyms: |
4-chloro-2-(trichloromethyl)-6-(trifluoromethyl)quinoline |
IUPAC Name: | 4-chloro-2-(trichloromethyl)-6-(trifluoromethyl)quinoline |
Description: | 4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline (CAS# 91991-82-1 ) is a useful research chemical. |
Molecular Weight: | 348.96 |
Molecular Formula: | C11H4Cl4F3N |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)C(=CC(=N2)C(Cl)(Cl)Cl)Cl |
InChI: | InChI=1S/C11H4Cl4F3N/c12-7-4-9(10(13,14)15)19-8-2-1-5(3-6(7)8)11(16,17)18/h1-4H |
InChI Key: | PWFMSBSBMGUFFI-UHFFFAOYSA-N |
Boiling Point: | 341.8 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.634 g/cm3 |
LogP: | 5.73370 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-0111329-B1 | Fluoromethyl quinoline derivatives and their preparation | 19821211 |
HU-188235-B | Process for producing fluoro-methyl-quinoline derivatives | 19821211 |
US-4659834-A | Process for the preparation of fluoromethyl-quinoline derivatives | 19821211 |
EP-0113432-A1 | Chloromethyl quinoline derivatives, process for their preparation and their use | 19821202 |
EP-0113432-B1 | Chloromethyl quinoline derivatives, process for their preparation and their use | 19821202 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.902044 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 346.904994 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.4 |
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