3-Benzoylbenzyl bromide

C₁₄H₁₁BrOCAS 22071-24-5275.14 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₄H₁₁BrO
Molar mass: 275.14 g/mol
Exact mass: 273.9993 Da
Melting point: 67–68 °C
logP: 3.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

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
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

22071-24-5

SMILES

O=C(c1ccccc1)c1cccc(CBr)c1

InChIKey

SZJQXQICJDHRJE-UHFFFAOYSA-N

InChI

InChI=1S/C14H11BrO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2

Weigh it out

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

Names and synonyms

4 names

Methanone, [3-(bromomethyl)phenyl]phenyl-
Benzophenone, 3-(bromomethyl)-
[3-(Bromomethyl)phenyl]phenylmethanone
3-(Bromomethyl)benzophenone

Work with 3-Benzoylbenzyl 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

1,3-Dibenzoylbenzene3770-82-962 % similar 3-(Bromomethyl)benzoic acid6515-58-860 % similar 3-Benzoylbenzeneacetic acid22071-22-359 % similar 3-Bromobenzophenone1016-77-958 % similar Methyl 3-(bromomethyl)benzoate1129-28-855 % similar Benzophenone119-61-954 % similar 1,3,5-Tribenzoylbenzene25871-69-653 % similar 3-Chlorobenzophenone1016-78-053 % similar

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

Same formula

1-(1,1'-Biphenyl)-4-yl-2-bromoethanone135-73-9 2-Bromo-1,2-diphenylethanone1484-50-0 1-(4-Bromophenyl)-2-phenylethanone2001-29-8 4-(Bromomethyl)benzophenone32752-54-8 1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-1

Elsewhere

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