8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline

C₁₀H₅ClF₃NOCAS 18706-22-4247.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀H₅ClF₃NO
Molar mass: 247.60 g/mol
Exact mass: 247.0012 Da
logP: 3.20Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18706-22-4

SMILES

C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F

InChIKey

SBVZSZNYPRWWNN-UHFFFAOYSA-N

InChI

InChI=1S/C10H5ClF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-31-171 % similar 8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-971 % similar 2,6-Bis(trifluoromethyl)-4-hydroxyquinoline35877-04-450 % similar 5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline59108-13-350 % similar 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-449 % similar 4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline125647-79-246 % similar 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-141 % similar 2,6-Dichloro-benzotrifluoride104359-35-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-21-3 7-Chloro-2-(trifluoromethyl)-4-quinolinol57124-20-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook