4-Pyridylacetone
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Boiling point
- 76 °C (at 0.1 Torr)
- logP
- 1.21Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed83.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage83.7% of notifiers
- H319 Causes serious eye irritation16.3% of notifiers
- H335 May cause respiratory irritation95.9% of notifiers
Aggregated from 49 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6304-16-1SMILES
CC(=O)Cc1ccncc1InChIKey
ILRVKOYYFFNXDB-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- 2-Propanone, 1-(4-pyridinyl)-
- 2-Propanone, 1-(4-pyridyl)-
- 2-Propanone, (4-pyridyl)-
- 1-(4-Pyridinyl)-2-propanone
- 4-Acetonylpyridine
- 4-Pyridinylacetone
- Methyl 4-pyridylmethyl ketone
- 1-(4-Pyridyl)-2-propanone
- 4-(2-Oxopropyl)pyridine
- NSC 42613
- 1-(Pyridin-4-yl)propan-2-one
- 1-(4-Pyridyl)-acetone
- 1-(Pyridin-4-yl)acetone
Work with 4-Pyridylacetone
Similar compounds
Phenylacetone103-79-763 % similar
1-(4-Methylphenyl)propan-2-one2096-86-859 % similar
1-(4-Bromophenyl)propan-2-one6186-22-759 % similar
4-Ethylphenylacetone75251-24-059 % similar
4-Hydroxyphenylacetone770-39-859 % similar
(4-Fluorophenyl)acetone459-03-057 % similar
1-(p-Chlorophenyl)acetone5586-88-957 % similar
4-Pyridineacetic acid28356-58-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.