1-(4-Nitrophenyl)-1,2-propanedione
Properties
- Molecular formula
- C9H7NO4
- Molar mass
- 193.16 g/mol
- Exact mass
- 193.0375 Da
- logP
- 1.37Crippen estimate
- Polar surface area
- 77.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H303+H333 May be harmful if swallowed or if inhaled33.3% of notifiers
- H303 May be harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H313 May be harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H333 May be harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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+P317, P302+P352, P304+P317, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6159-25-7SMILES
CC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]InChIKey
WCQBWJSIZYUMDJ-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-(4-Nitrophenyl)propane-1,2-dione
Work with 1-(4-Nitrophenyl)-1,2-propanedione
Similar compounds
P-Nitroacetophenone100-19-662 % similar
4-Nitrobenzamide619-80-754 % similar
4-Nitrobenzoyl chloride122-04-353 % similar
Bis(4-nitrophenyl)peroxyanhydride1712-84-153 % similar
4-Nitrobenzoic acid62-23-753 % similar
Methyl 4-nitrobenzoate619-50-153 % similar
4-Acetyl-4'-nitrodiphenyl ether75919-92-553 % similar
1,4-Dinitrobenzene100-25-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.