2-(Trifluoromethyl)-4-quinolinol - CAS 1701-18-4
Catalog: |
BB012612 |
Product Name: |
2-(Trifluoromethyl)-4-quinolinol |
CAS: |
1701-18-4 |
Synonyms: |
2-(trifluoromethyl)-1H-quinolin-4-one |
IUPAC Name: | 2-(trifluoromethyl)-1H-quinolin-4-one |
Description: | 2-(Trifluoromethyl)-4-quinolinol (CAS# 1701-18-4) is a useful research chemical. |
Molecular Weight: | 213.16 |
Molecular Formula: | C10H6F3NO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)C=C(N2)C(F)(F)F |
InChI: | InChI=1S/C10H6F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-5H,(H,14,15) |
InChI Key: | SUNAMHNJYSQUPL-UHFFFAOYSA-N |
Boiling Point: | 277.9 ℃ at 760 mmHg |
Density: | 1.724 g/cm3 |
Solubility: | >32 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00153196 |
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 |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
CN-110963994-A | Isoindoline compound, preparation method, pharmaceutical composition and application thereof | 20180930 |
EP-3862348-A1 | Isoindoline compound, preparation method, pharmaceutical composition and use thereof | 20180930 |
PMID | Publication Date | Title | Journal |
11604032 | 20010901 | QSAR study of 1,8-naphthyridin-4-ones as inhibitors of photosystem II | Journal of chemical information and computer sciences |
Complexity: | 308 |
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: | 2.5 |
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