4-Hydroxy-7-(trifluoromethyl)quinoline - CAS 322-97-4
Catalog: |
BB021248 |
Product Name: |
4-Hydroxy-7-(trifluoromethyl)quinoline |
CAS: |
322-97-4 |
Synonyms: |
7-(trifluoromethyl)-1H-quinolin-4-one |
IUPAC Name: | 7-(trifluoromethyl)-1H-quinolin-4-one |
Description: | 4-Hydroxy-7-(trifluoromethyl)quinoline (CAS# 322-97-4) is a useful research chemical. |
Molecular Weight: | 213.16 |
Molecular Formula: | C10H6F3NO |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC=CC2=O |
InChI: | InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15) |
InChI Key: | OWPLFJSQLPTCHS-UHFFFAOYSA-N |
Boiling Point: | 265.6 °C at 760 mmHg |
Density: | 1.369 g/cm3 |
MDL: | MFCD00006779 |
LogP: | 2.95920 |
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 |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
AU-2017269256-A1 | Aminoacylindazole immunomodulators for treatment of autoimmune diseases | 20160523 |
CA-3025810-A1 | Aminoacylindazole immunomodulators for treatment of autoimmune diseases | 20160523 |
EP-3463341-A1 | Aminoacylindazole immunomodulators for treatment of autoimmune diseases | 20160523 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0401483 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Quinoline/Isoquinoline
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