2,4-Pyrrolidinedione supplier

Name
2,4-Pyrrolidinedione
EINECS
CAS No. 37772-89-7
Article Data15
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point
Formula C₄H₅NO₂
Boiling Point 380.9 °C at 760 mmHg
Molecular Weight 99.0892
Flash Point 211.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Pyrrolidinedione
PSA 49.66000
LogP -0.64870

2,4-Pyrrolidinedione Specification

The 2,4-Pyrrolidinedione is an organic compound with the formula C₄H₅NO₂. The systematic name of this chemical is pyrrolidine-2,4-dione. With the CAS registry number 37772-89-7, it is also named as 4-ketopyrrolidinone. The product's category is Drug Intermediates.

Physical properties about 2,4-Pyrrolidinedione are: (1)ACD/LogP: -2.72; (2)ACD/LogD (pH 5.5): -2.72; (3)ACD/LogD (pH 7.4): -2.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 37.38 Å²; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 22.05 cm³; (13)Molar Volume: 77.7 cm³; (14)Polarizability: 8.74×10^-24cm³; (15)Surface Tension: 43 dyne/cm; (16)Density: 1.274 g/cm³; (17)Flash Point: 211.3 °C; (18)Enthalpy of Vaporization: 62.91 kJ/mol; (19)Boiling Point: 380.9 °C at 760 mmHg; (20)Vapour Pressure: 5.28E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CNC(=O)C1
(2)InChI: InChI=1/C4H5NO2/c6-3-1-4(7)5-2-3/h1-2H2,(H,5,7)
(3)InChIKey: DOQJUNNMZNNQAD-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1-2H2,(H,5,7)
(5)Std. InChIKey: DOQJUNNMZNNQAD-UHFFFAOYSA-N

Product Name

2,4-Pyrrolidinedione

2,4-Pyrrolidinedione Specification

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