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CAS No.: | 13691-26-4 |
---|---|
Name: | 1-(4-NITROPHENYL)-2-PYRROLIDINONE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H10N2O3 |
Molecular Weight: | 206.201 |
Synonyms: | 2-Pyrrolidinone,1-(p-nitrophenyl)- (6CI,8CI);1-(4-Nitrophenyl)pyrrolidin-2-one;1-(p-Nitrophenyl)-2-pyrrolidone;4-(2-Oxo-1-pyrrolidinyl)nitrobenzene;NSC172147; |
Density: | 1.353 g/cm3 |
Melting Point: | 128-130 °C |
Boiling Point: | 477.8 °C at 760 mmHg |
Flash Point: | 242.8 °C |
Solubility: | insoluble in water |
Appearance: | brown-orange to brown crystalline powder |
Safety: | 24/25 |
PSA: | 66.13000 |
LogP: | 2.30980 |
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The 2-Pyrrolidinone,1-(4-nitrophenyl)-, with CAS registry number 13691-26-4, has the systematic name of 1-(4-nitrophenyl)pyrrolidin-2-one. Besides this, it is also called 1-(p-Nitrophenyl)-2-pyrrolidone. This chemical is a kind of brown-orange to brown crystalline powder. When use this chemical, please avoid contact with skin and eyes.
Physical properties of 2-Pyrrolidinone,1-(4-nitrophenyl)-: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 53.13 cm3; (9)Molar Volume: 152.3 cm3; (10)Polarizability: 21.06×10-24cm3; (11)Surface Tension: 59.4 dyne/cm; (12)Density: 1.353 g/cm3; (13)Flash Point: 242.8 °C; (14)Enthalpy of Vaporization: 74.18 kJ/mol; (15)Boiling Point: 477.8 °C at 760 mmHg; (16)Vapour Pressure: 2.71E-09 mmHg at 25°C.
Uses of 2-Pyrrolidinone,1-(4-nitrophenyl)-: it can be used to produce 1-(4-nitrophenyl)pyrrolidine-2-thione. This reaction will need reagent P2S5 and solvent benzene. The yield is about 96%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)N2C(=O)CCC2
(2)InChI: InChI=1/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
(3)InChIKey: YYYMDBUHBOEDTC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
(5)Std. InChIKey: YYYMDBUHBOEDTC-UHFFFAOYSA-N