2-Chloro-4′-fluoroacetophenone

C₈H₆ClFOCAS 456-04-2172.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₆ClFO
Molar mass: 172.58 g/mol
Exact mass: 172.0091 Da
Melting point: 48 °C
Boiling point: 137 °C
logP: 2.25Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed70.1% of notifiers
H314 Causes severe skin burns and eye damage73.9% of notifiers
H315 Causes skin irritation26.8% of notifiers
H317 May cause an allergic skin reaction68.2% of notifiers
H318 Causes serious eye damage68.2% of notifiers
H319 Causes serious eye irritation26.8% of notifiers
H330 Fatal if inhaled68.2% of notifiers
H335 May cause respiratory irritation26.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects68.2% of notifiers

Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

456-04-2

SMILES

O=C(CCl)c1ccc(F)cc1

InChIKey

UJZWJOQRSMOFMA-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

12 names

Ethanone, 2-chloro-1-(4-fluorophenyl)-
Acetophenone, 2-chloro-4′-fluoro-
2-Chloro-1-(4-fluorophenyl)ethanone
p-Fluorophenacyl chloride
2-Chloro-1-(4-fluorophenyl)-1-ethanone
4-Fluorophenacyl chloride
α-Chloro-p-fluoroacetophenone
4′-Fluoro-2-chloroacetophenone
2-Chloro-1-(4′-fluorophenyl)ethanone
2′-Chloro-4-fluoroacetophenone
Chloromethyl 4-fluorophenyl ketone
2-Chloro-4'-fluoroacetophenone

Work with 2-Chloro-4′-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-4'-fluoropropiophenone347-93-367 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-263 % similar 2,4′-Dichloroacetophenone937-20-262 % similar Phenacyl chloride532-27-461 % similar 2-Amino-4'-fluoroacetophenone369-43-760 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-260 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-660 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 4'-Chloro-3'-fluoroacetophenone151945-84-5 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-1 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8 5-Fluoro-2-methylbenzoyl chloride21900-39-0 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7 3'-Chloro-4'-fluoroacetophenone2923-66-2 2'-Chloro-5'-fluoroacetophenone2965-16-4

Elsewhere

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