2,6-Difluorophenacyl bromide

C₈H₅BrF₂OCAS 56159-89-8235.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₅BrF₂O
Molar mass: 235.03 g/mol
Exact mass: 233.9492 Da
logP: 2.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

56159-89-8

SMILES

C1=CC(=C(C(=C1)F)C(=O)CBr)F

InChIKey

UZKLFNHMBFDXEN-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF2O/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

2',6'-Difluorophenacyl bromide

Work with 2,6-Difluorophenacyl bromide

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-Bromo-2'-fluoroacetophenone655-15-265 % similar 1-(2,6-Difluorophenyl)-1-propanone85068-31-161 % similar Pentafluorophenacyl bromide5122-16-753 % similar 3-Fluorophenacyl bromide53631-18-853 % similar 7-Fluoroindan-1-one651735-59-053 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-248 % similar Phenacyl bromide70-11-148 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-2',4'-difluoroacetophenone102429-07-2 2-Bromo-1-(3,4-difluorophenyl)ethan-1-one40706-98-7

Elsewhere

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