2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one

C₉H₇BrF₂O₂CAS 141134-24-9265.05 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₉H₇BrF₂O₂
Molar mass: 265.05 g/mol
Exact mass: 263.9597 Da
logP: 2.87Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

141134-24-9

SMILES

C1=CC(=CC=C1C(=O)CBr)OC(F)F

InChIKey

JMUKUVDYZQDUSP-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrF2O2/c10-5-8(13)6-1-3-7(4-2-6)14-9(11)12/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

1 names

4-(Difluoromethoxy)phenacyl bromide

Work with 2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one

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

4-Fluorophenacyl bromide403-29-259 % similar 4-Methoxyphenacyl bromide2632-13-558 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-358 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-755 % similar 4-(Difluoromethoxy)benzoic acid4837-20-154 % similar 1-[4-(Difluoromethoxy)phenyl]ethanone83882-67-154 % similar 4-Bromophenacyl bromide99-73-051 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-550 % similar

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

Elsewhere

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