2-(Bromoacetyl)naphthalene

C12H9BrOCAS 613-54-7249.11 g/mol

Open in Covalent MOL file
OBr
Alkyl halideKetone

Properties

Molecular formula
C12H9BrO
Molar mass
249.11 g/mol
Exact mass
247.9837 Da
Melting point
82.5–83.5 °C
logP
3.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
613-54-7
SMILES
O=C(CBr)c1ccc2ccccc2c1
InChIKey
YHXHHGDUANVQHE-UHFFFAOYSA-N
InChI
InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

Weigh it out

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

Names and synonyms

19 names · show all
  • Ethanone, 2-bromo-1-(2-naphthalenyl)-
  • 2′-Acetonaphthone, 2-bromo-
  • 2-Bromo-1-(2-naphthalenyl)ethanone
  • α-Bromo-2′-acetonaphthone
  • α-Bromo-2-acetonaphthone
  • 2-Naphthacyl bromide
  • Bromomethyl 2-naphthyl ketone
  • 2-Naphthoylmethyl bromide
  • 2-Bromo-2′-acetonaphthone
  • β-Naphthacyl bromide
  • ω-Bromo-2-acetonaphthalene
  • 2-(2-Bromoacetyl)naphthalene
  • 2-Bromo-1-(2-naphthyl)-1-ethanone
  • ω-Bromo-2-acetonaphthone
  • 2-Bromo-1-(2-naphthyl)ethanone
  • NSC 36849
  • 2-(α-Bromoacetyl)naphthalene
  • 2-Bromo-1-(naphthalen-2-yl)ethan-1-one
  • 2-Bromo-2'-acetonaphthone

Work with 2-(Bromoacetyl)naphthalene

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

Phenacyl bromide70-11-160 % similar 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone135-73-958 % similar 3-Bromophenacyl bromide18523-22-356 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-755 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-254 % similar 2-Bromo-1-(3,4-difluorophenyl)ethan-1-one40706-98-754 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-254 % similar 3-Fluorophenacyl bromide53631-18-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromodiphenyl ether101-55-3 4-Bromo-4'-hydroxybiphenyl29558-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook