4-(Bromomethyl)benzophenone

C₁₄H₁₁BrOCAS 32752-54-8275.14 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: 112 °C
logP: 3.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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

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

32752-54-8

SMILES

O=C(c1ccccc1)c1ccc(CBr)cc1

InChIKey

RYULULVJWLRDQH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Methanone, [4-(bromomethyl)phenyl]phenyl-
Benzophenone, 4-(bromomethyl)-
[4-(Bromomethyl)phenyl]phenylmethanone
p-Benzoylbenzyl bromide
α-Bromo-p-benzoyltoluene
4-Benzoylbenzyl bromide
p-Bromomethylbenzophenone

Work with 4-(Bromomethyl)benzophenone

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

1,4-Dibenzoylbenzene3016-97-564 % similar 4-Ethylbenzophenone18220-90-161 % similar Benzophenone119-61-960 % similar 4-Bromobenzophenone90-90-457 % similar 4-Phenylbenzophenone2128-93-055 % similar Benzyl bromide100-39-054 % similar 1,3,5-Tribenzoylbenzene25871-69-654 % similar 4-(Bromomethyl)benzoic acid6232-88-853 % 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 3-Benzoylbenzyl bromide22071-24-5 1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-1

Elsewhere

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