2'-Chloro-5'-fluoroacetophenone

C₈H₆ClFOCAS 2965-16-4172.58 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆ClFO
Molar mass: 172.58 g/mol
Exact mass: 172.0091 Da
Density: 1.2884 g/mL (at 23 °C)
Boiling point: 77–78 °C (at 4 Torr)
logP: 2.68Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

2965-16-4

SMILES

CC(=O)c1cc(F)ccc1Cl

InChIKey

KDBNPMAKHFSEBH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names

1-(2-Chloro-5-fluorophenyl)ethanone
Ethanone, 1-(2-chloro-5-fluorophenyl)-
Acetophenone, 2′-chloro-5′-fluoro-
2-Chloro-5-fluorophenyl methyl ketone
2′-Chloro-5′-fluoroacetophenone

Work with 2'-Chloro-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

1-(2-Chloro-4-fluorophenyl)ethanone700-35-675 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-864 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-164 % similar 2-Chloro-5-fluorobenzoyl chloride21900-51-662 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-360 % similar 2-Chloro-5-fluorobenzoic acid2252-50-860 % similar 2-Amino-5-fluoroacetophenone2343-25-160 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-160 % 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-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook