Picrolonic acid
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Picrolonic acid
structure -
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CAS No:
550-74-3
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Formula:
C10H8N4O5
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Chemical Name:
Picrolonic acid
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Synonyms:
3H-Pyrazol-3-one,2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-;Picrolonic acid;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;46972-75-2
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CAS No:
Characteristics
124.31000
0.49
Dark burnt orange to yellow powder
1.7±0.1 g/cm3
116 °C
548.8±50.0 °C at 760 mmHg
285.7±30.1 °C
1.714
Slightly soluble in water. Soluble in alcohol.
Refrigerator (+4ºC)
Safety Information
R68
S37/39-S26
UQ9510000
Xn: Harmful;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Picrolonic acid Use and Manufacturing
As reagent for alkaloids, tryptophan, phenylalanine, and for the detection and estimation of calcium.
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-: ACTIVE
Computed Properties
Molecular Weight:264.19
XLogP3:1.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:264.04946937
Monoisotopic Mass:264.04946937
Topological Polar Surface Area:124
Heavy Atom Count:19
Complexity:444
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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