(4-Bromophenyl)cyclopropylmethanone

C₁₀H₉BrOCAS 6952-89-2225.08 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉BrO
Molar mass: 225.08 g/mol
Exact mass: 223.9837 Da
Melting point: 41–43 °C
Boiling point: 108–110 °C (at NaN Torr)
logP: 3.04Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

6952-89-2

SMILES

O=C(c1ccc(Br)cc1)C1CC1

InChIKey

QTHHOINSCNBYQO-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

Weigh it out

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

Names and synonyms

6 names

Methanone, (4-bromophenyl)cyclopropyl-
Ketone, p-bromophenyl cyclopropyl
p-Bromophenyl cyclopropyl ketone
4-Bromophenyl cyclopropyl ketone
Cyclopropyl 4-bromophenyl ketone
NSC 70846

Work with (4-Bromophenyl)cyclopropylmethanone

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

Benzoylcyclopropane3481-02-561 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-160 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-660 % similar Cyclopropyl(4-methoxyphenyl)methanone7152-03-655 % similar Cyclobutyl phenyl ketone5407-98-752 % similar Cyclopentyl phenyl ketone5422-88-852 % similar 4,4'-Dibromobenzil35578-47-350 % similar 4,4′-Dibromobenzophenone3988-03-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Bromo-1-tetralone32281-97-3 6-Bromo-2-tetralone4133-35-1 8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-3 6-Bromo-1-tetralone66361-67-9 5-Bromo-1-tetralone68449-30-9

Elsewhere

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