1-(3-Bromo-4-fluorophenyl)ethanone

C₈H₆BrFOCAS 1007-15-4217.04 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
Melting point: 57 °C
Boiling point: 230 °C
logP: 2.79Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% 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

1007-15-4

SMILES

CC(=O)c1ccc(F)c(Br)c1

InChIKey

SZDWTGAORQQQGY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Ethanone, 1-(3-bromo-4-fluorophenyl)-
Acetophenone, 3′-bromo-4′-fluoro-
3-Bromo-4-fluoroacetophenone
1-(3-Bromo-4-fluorophenyl)ethan-1-one
3′-Bromo-4′-fluoroacetophenone
1-Acetyl-3-bromo-4-fluorobenzene
4′-Fluoro-3′-bromoacetophenone
1-(4-Fluoro-3-bromophenyl)-ethanone

Work with 1-(3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3,4-Difluorophenyl)ethanone369-33-568 % similar 4-Fluoro-3-methylacetophenone369-32-462 % similar 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-162 % similar 3-Bromo-4-fluorobenzoic acid1007-16-560 % similar 4-Fluoro-3-amino-acetophenone2002-82-660 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-260 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-360 % similar 3'-Bromo-4'-fluoropropiophenone202865-82-559 % similar

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

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-9 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

PubChem CAS Common Chemistry NIST WebBook