1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone

C₈H₃Cl₂F₃OCAS 130336-16-2243.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₃Cl₂F₃O
Molar mass: 243.01 g/mol
Exact mass: 241.9513 Da
logP: 3.74Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers
H411 Toxic to aquatic life with long lasting effects25% of notifiers
H413 May cause long lasting harmful effects to aquatic life12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

130336-16-2

SMILES

O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F

InChIKey

DZDSQRPDUCSOQV-UHFFFAOYSA-N

InChI

InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H

Weigh it out

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

Names and synonyms

6 names

Ethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-
1-(3′,5′-Dichlorophenyl)-2,2,2-trifluoroethanone
3′,5′-Dichloro-2,2,2-trifluoroacetophenone
2,2,2-Trifluoro-1-(3,5-dichlorophenyl)ethanone
(3,5-Dichlorophenyl)-2,2,2-trifluoro-ethanone
1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one

Work with 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone

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

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-974 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-966 % similar 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1190865-44-159 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-552 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-750 % similar 3'-Bromo-2,2,2-trifluoroacetophenone655-26-550 % similar 2,2,2,4′-Tetrafluoroacetophenone655-32-347 % similar 3,5-Dichlorobenzoyl chloride2905-62-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-(trifluoromethyl)benzoyl chloride657-05-6

Elsewhere

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