4'-Hydroxy-3'-(trifluoromethyl)acetophenone

C₉H₇F₃O₂CAS 149105-11-3204.15 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Phenol

Properties

Molecular formula: C₉H₇F₃O₂
Molar mass: 204.15 g/mol
Exact mass: 204.0398 Da
logP: 2.61Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

149105-11-3

SMILES

CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F

InChIKey

HKRUXZJKSFFSGF-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O2/c1-5(13)6-2-3-8(14)7(4-6)9(10,11)12/h2-4,14H,1H3

Weigh it out

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

Work with 4'-Hydroxy-3'-(trifluoromethyl)acetophenone

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

4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-465 % similar 4-Hydroxy-3-(trifluoromethyl)benzoic acid220239-68-965 % similar 4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-263 % similar 3',4'-Dihydroxyacetophenone1197-09-762 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-861 % similar 4'-Methoxy-3'-(trifluoromethyl)acetophenone149105-10-260 % similar 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one403-14-559 % similar 4′-Hydroxy-3′-methylacetophenone876-02-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-5 3'-(Trifluoromethoxy)acetophenone170141-63-6 2'-(Trifluoromethoxy)acetophenone220227-93-0 Methyl 3-(trifluoromethyl)benzoate2557-13-3

Elsewhere

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