Picrolonic acid
Properties
- Molecular formula
- C10H8N4O5
- Molar mass
- 264.20 g/mol
- Exact mass
- 264.0495 Da
- Melting point
- 116 °C
- logP
- 0.96Crippen estimate
- Polar surface area
- 119.0 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
550-74-3SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]InChIKey
OVFUUSPKWADLNJ-UHFFFAOYSA-NInChI
InChI=1S/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-
- 2,4-Dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-3H-pyrazol-3-one
- NSC 5049
- 3-Methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one
Work with Picrolonic acid
Similar compounds
1-(4-Nitrophenyl)-3-methyl-5-pyrazolone6402-09-151 % similar
4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)7477-67-045 % similar
2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one30818-17-843 % similar
N,N-Dimethyl-4-nitroaniline100-23-242 % similar
4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-142 % similar
N-(4-Nitrophenyl)maleimide4338-06-141 % similar
1-(4-Nitrophenyl)-1,2-propanedione6159-25-741 % similar
P-Nitroacetophenone100-19-640 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds