2′,4′-Dichloro-5′-fluoroacetophenone

C₈H₅Cl₂FOCAS 704-10-9207.03 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₅Cl₂FO
Molar mass: 207.03 g/mol
Exact mass: 205.9701 Da
Melting point: 35–36 °C
Boiling point: 112–115 °C (at 5 Torr)
logP: 3.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

704-10-9

SMILES

CC(=O)c1cc(F)c(Cl)cc1Cl

InChIKey

FAKJFAMIABOKBW-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(2,4-dichloro-5-fluorophenyl)-
Acetophenone, 2′,4′-dichloro-5′-fluoro-
1-(2,4-Dichloro-5-fluorophenyl)ethanone
1-(2,4-Dichloro-5-fluorophenyl)ethan-1-one
Acetophenone, 2',4'-dichloro-5'-fluoro-

Work with 2′,4′-Dichloro-5′-fluoroacetophenone

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

2'-Chloro-4',5'-difluoroacetophenone121872-94-483 % similar 4'-Chloro-2',5'-difluoroacetophenone655-12-980 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-562 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-262 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-261 % similar 2,4-Dichloro-5-fluorobenzoic acid86522-89-659 % similar 2′,4′,5′-Trifluoroacetophenone129322-83-458 % similar 2'-Chloro-5'-fluoroacetophenone2965-16-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-6 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-7 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-7

Elsewhere

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