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Name	1,2-Diphenyl-3,5-pyrazolidinedione	EINECS	N/A
CAS No.	2652-77-9	Density	1.313 g/cm³
PSA	40.62000	LogP	2.50150
Solubility	N/A	Melting Point	178-180 °C
Formula	C₁₅H₁₂N₂O₂	Boiling Point	380.546 °C at 760 mmHg
Molecular Weight	252.272	Flash Point	167.2 °C
Transport Information	N/A	Appearance	Yellow-beige crystalline powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1,2-Diphenyl-3,5-dioxopyrazolidine;1,2-Diphenyl-3,5-pyrazolidinedione;	Article Data	9

1,2-Diphenyl-3,5-pyrazolidinedione Chemical Properties

Molecule structure of Diphenyldiketopyrazolidine (CAS NO.2652-77-9) :

IUPAC Name: 1,2-diphenylpyrazolidine-3,5-dione
Molecular Weight: 252.26798 g/mol
Molecular Formula: C₁₅H₁₂N₂O₂
Density: 1.312 g/cm³
Melting Point: 180-183 °C
Boiling Point: 380.5 °C at 760 mmHg
Flash Point: 167.2 °C
Index of Refraction: 1.65
Molar Refractivity: 70.11 cm³
Molar Volume: 192.2 cm³
Polarizability: 27.79*10^-24 cm³
Surface Tension: 58.3 dyne/cm
Enthalpy of Vaporization: 62.87 kJ/mol
log P (octanol-water): 1.45
Water Solubility: 1330 mg/L
Vapor Pressure: 6.16E-09 mm Hg
Henry's Law Constant: 2.11E-09 atm-m³/mole
Atmospheric OH Rate Constant: 2.52E-11 cm³/molecule-sec
XLogP3-AA: 2.4
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 252.089878
MonoIsotopic Mass: 252.089878
Topological Polar Surface Area: 40.6
Heavy Atom Count: 19
Complexity: 323
Canonical SMILES: C1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey of Diphenyldiketopyrazolidine (CAS NO.2652-77-9) : XDPKQGKEOCYMQC-UHFFFAOYSA-N

1,2-Diphenyl-3,5-pyrazolidinedione Toxicity Data With Reference

1.	orl-rat LD50:1 g/kg	MPHEAE Medicina et Pharmacologia Experimentalis. 16 (1967),536.
2.	ipr-rat LD50:338 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 132 (1961),16.
3.	orl-mus LD50:574 mg/kg	MPHEAE Medicina et Pharmacologia Experimentalis. 16 (1967),536.

1,2-Diphenyl-3,5-pyrazolidinedione Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x.

1,2-Diphenyl-3,5-pyrazolidinedione Specification

Diphenyldiketopyrazolidine (CAS NO.2652-77-9) is also called 1,2-Diphenyl-3,5-dioxopyrazolidin ; 1,2-Diphenyl-3,5-dioxopyrazolidin [German] ; 1,2-Diphenyl-3,5-pyrazolidinedione ; 5-24-05-00186 (Beilstein Handbook Reference) ; BRN 0210835 ; DA 339 ; Difenildichetopirazolidina ; Difenildichetopirazolidina [Italian] ; G 14744 . Diphenyldiketopyrazolidine (CAS NO.2652-77-9) is yellow-beige crystalline powder.

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