1-(2-Oxopropyl)pyridinium bromide

C8H10BrNOCAS 17282-41-6216.08 g/mol

ON+Br−
Ketone

Properties

Molecular formula
C8H10BrNO
Molar mass
216.08 g/mol
Exact mass
214.9946 Da
Melting point
201 °C (decomposes)
logP
-2.43Crippen estimate
Polar surface area
20.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
17282-41-6
SMILES
CC(=O)C[n+]1ccccc1.[Br-]
InChIKey
RBFIDROZWYVUGX-UHFFFAOYSA-M
InChI
InChI=1S/C8H10NO.BrH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1

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

Names and synonyms

6 names
  • Pyridinium, 1-(2-oxopropyl)-, bromide (1:1)
  • Pyridinium, 1-acetonyl-, bromide
  • Pyridinium, 1-(2-oxopropyl)-, bromide
  • Acetonylpyridinium bromide
  • 1-Acetonylpyridinium bromide
  • N-Acetonylpyridinium bromide

Work with 1-(2-Oxopropyl)pyridinium bromide

Similar compounds

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

Same formula

Elsewhere