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CAS No.: | 10220-22-1 |
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Name: | 1-(4-NITROPHENYL)PYRROLIDINE |
Article Data: | 75 |
Molecular Structure: | |
Formula: | C10H12N2O2 |
Molecular Weight: | 192.217 |
Synonyms: | Pyrrolidine,1-(p-nitrophenyl)- (6CI,7CI,8CI);1-(4-Nitrophenyl)pyrrolidine;1-(p-Nitrophenyl)pyrrolidine;4-Pyrrolidinonitrobenzene;N-(4-Nitrophenyl)pyrrolidine;NSC 525710;p-(1-Pyrrolidinyl)nitrobenzene; |
Density: | 1.233 g/cm3 |
Melting Point: | 167-169 °C |
Boiling Point: | 349.9 °C at 760 mmHg |
Flash Point: | 165.4 °C |
PSA: | 49.06000 |
LogP: | 2.78320 |
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The Pyrrolidine, 1-(4-nitrophenyl)-, with the CAS registry number 10220-22-1, is also known as N-(4-Nitrophenyl)pyrrolidine. This chemical's molecular formula is C10H12N2O2 and molecular weight is 192.21. What's more, its IUPAC name is 1-(4-Nitrophenyl)pyrrolidine.
Physical properties about Pyrrolidine, 1-(4-nitrophenyl)- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 53 cm3; (9)Molar Volume: 155.8 cm3; (10)Polarizability: 21.01×10-24 cm3; (11)Surface Tension: 51.6 dyne/cm; (12)Density: 1.233 g/cm3; (13)Flash Point: 165.4 °C; (14)Enthalpy of Vaporization: 59.44 kJ/mol; (15)Boiling Point: 349.9 °C at 760 mmHg; (16)Vapour Pressure: 4.56E-05 mmHg at 25 °C.
Preparation of Pyrrolidine, 1-(4-nitrophenyl)-: this chemical is prepared by reaction of Pyrrolidine with 1-Chloro-4-nitro-benzene. The reaction needs reagent Tetrahydrofuran. The reaction time is 2 hours with reaction temperature of 50 °C. The yield is about 100 %.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)N2CCCC2
(2) InChI: InChI=1/C10H12N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h3-6H,1-2,7-8H2
(3) InChIKey: IXQSJUBRGIJRCV-UHFFFAOYAK