4-Methyl-1-phenyl-3-pyrazolidone
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4-Methyl-1-phenyl-3-pyrazolidone
structure -
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CAS No:
2654-57-1
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Formula:
C10H12N2O
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Chemical Name:
4-Methyl-1-phenyl-3-pyrazolidone
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Synonyms:
3-Pyrazolidinone,4-methyl-1-phenyl-;4-Methyl-1-phenyl-3-pyrazolidinone;Phenidone B;1-Phenyl-4-methyl-3-pyrazolidone;1-Phenyl-4-methyl-3-oxopyrazolidine;1-Phenyl-4-methyl-3-pyrazolidinone;4-Methyl-1-phenyl-3-pyrazolidone;NSC 96628;4-Methyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-ol
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CAS No:
4-Methyl-1-phenyl-3-pyrazolidone Basic Attributes
176.22
176.22
220-180-6
96628
DTXSID8044412
2933990090
Characteristics
32.3
1.8
White to off-white crystals
1.1±0.1 g/cm3
142.5-143 °C
345ºC
139.2ºC
1.552
19 [ug/mL]
Dark Room
Safety Information
Ⅲ
6.1(b)
2811
6.1
S24/25
Xn,N
Stable under normal temperatures and pressures. Light sensitive.
P261, P264, P270, P272, P273, P280, P301+P310, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, P405, P501
H301
|Danger|H301 (80.85%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P301+P312, P302+P352, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:176.21
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.094963011
Monoisotopic Mass:176.094963011
Topological Polar Surface Area:32.3
Heavy Atom Count:13
Complexity:199
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Methyl-1-phenyl-3-pyrazolidone
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