1-(2-Bromo-4-fluorophenyl)ethanone

C₈H₆BrFOCAS 1006-39-9217.04 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆BrFO
Molar mass: 217.04 g/mol
Exact mass: 215.9586 Da
Boiling point: 128–130 °C (at 10 Torr)
logP: 2.79Crippen 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 damage12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

1006-39-9

SMILES

CC(=O)c1ccc(F)cc1Br

InChIKey

RCXFSBRMWBFWMH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3

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

Names and synonyms

5 names

Ethanone, 1-(2-bromo-4-fluorophenyl)-
Acetophenone, 2′-bromo-4′-fluoro-
2-Bromo-4-fluoroacetophenone
2′-Bromo-4′-fluoroacetophenone
1-(2-Bromo-4-fluorophenyl)ethan-1-one

Work with 1-(2-Bromo-4-fluorophenyl)ethanone

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-(2,4-Difluorophenyl)ethanone364-83-064 % similar 2-Bromo-4-fluorobenzoic acid1006-41-360 % similar 4'-Fluoro-2'-hydroxyacetophenone1481-27-260 % similar 1-(2-Bromo-4-hydroxyphenyl)ethanone61791-99-960 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-660 % similar 1-(2-Bromo-4-chlorophenyl)ethanone825-40-160 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-859 % similar 4'-Fluoro-2'-(trifluoromethyl)acetophenone208173-21-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-4 2-Bromo-6-fluoro-3-methylbenzaldehyde154650-16-5 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-5 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-6 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-2 3-Fluorophenacyl bromide53631-18-8

Elsewhere

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