1,2-Diphenyl-3,5-pyrazolidinedione

HCID 17561

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2652-77-9
Standard SMILES: O=C1CC(=O)N(c2ccccc2)N1c1ccccc1
InChIKey: XDPKQGKEOCYMQC-UHFFFAOYSA-N
Molecular formula: C15H12N2O2
Average molar mass: 252.27 g/mol
Monoisotopic mass: 252.08987762

Overview

structure given in first source

Names & identifiers

Preferred name: 1,2-Diphenyl-3,5-pyrazolidinedione
IUPAC: 1,2-diphenylpyrazolidine-3,5-dione
English name: 1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
Molecular formula: C15H12N2O2
Molecular weight: 252.27

Names & synonyms

2652-77-91,2-Diphenyl-3,5-pyrazolidinedioneRefChem:9067531,2-diphenylpyrazolidine-3,5-dione1,2-Diphenyl-pyrazolidine-3,5-dioneDiphenyldiketopyrazolidine1,2-Diphenyl-3,5-dioxopyrazolidine3,5-PYRAZOLIDINEDIONE, 1,2-DIPHENYL-DifenildichetopirazolidinaMFCD001799241,2-Diphenyl-3,5-dioxopyrazolidinDA 339

Show more names

da339AURORA KA-3848Acetanilide Impurity 21,2-Diphenyl-3,5-pyrrolidone1,2-DIPHENYL-PYRAZOLIDINE-3,5-1,2-diphenyl-5-pyrazolidinedione

G 147441,2-Diphenyl-3,5-pyrazolidinedione (>90%)F1151-00061,2-Diphenyl-3,5-dioxopyrazolidine;Difenildichetopirazolidina [Italian]1,2-diphenyl-1,2-diazolidine-3,5-dioneBRN 02108351,2-Diphenyl-3,5-dioxopyrazolidin [German]

Database identifiers

CAS: 2652-77-9
PubChem CID: 17561
DTXSID: DTXSID60877699
ChEMBL: CHEMBL383918
Nikkaji: J78.756F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 323

Physicochemical properties

Melting point: 180 · 180-183°C
Boiling point: 381 ℃ · 381℃
Density: 1.312 · 1.312
refractive index: 1.5906 · 1.5906 (estimate)
Flash point: 167 ℃ · 167℃
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 9.96 · 9.96±0.20(Predicted)
form: Crystalline Powder
color: Yellow-beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 29331900 · 29331900
Toxicity: 50 · mouse,LD50,oral,574mg/kg (574mg/kg),Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 536, 1967.

Safety & regulation

Safety data

hs_code: 29331900
Toxicity: mouse,LD50,oral,574mg/kg (574mg/kg),Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 536, 1967.
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1,2-Diphenyl-3,5-pyrazolidinedione is a reactant used in organic synthesis such as in the preparation of inhibitors of UDP-N-acetylenolpyruvyl glucosamine reductase.