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CAS No.: | 778-56-3 |
---|---|
Name: | 1-(4-FLUORO-2-NITROPHENYL)PYRROLIDINE |
Molecular Structure: | |
Formula: | C10H11FN2O2 |
Molecular Weight: | 210.2 |
Synonyms: | N-(4-FLUORO-2-NITRO-PHENYL)-PYRROLIDINE;BUTTPARK 45\09-70;1-(4-FLUORO-2-NITROPHENYL)PYRROLIDINE;5-Fluoro-2-(pyrrolidin-1-yl)nitrobenzene, 4-Fluoro-2-nitro-1-(pyrrolidin-1-yl)benzene |
Density: | 1.313 g/cm3 |
Melting Point: | 40 °C |
Boiling Point: | 338.6 °C at 760 mmHg |
Flash Point: | 158.6 °C |
Hazard Symbols: | Xi |
PSA: | 49.06000 |
LogP: | 2.92230 |
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The Pyrrolidine,1-(4-fluoro-2-nitrophenyl)- is an organic compound with the formula C10H11FN2O2. The IUPAC name of this chemical is 1-(4-fluoro-2-nitrophenyl)pyrrolidine. With the CAS registry number 778-56-3, it is also named as N-(4-Fluoro-2-nitro-phenyl)-pyrrolidine. The product's categories are Amines; Blocks; FluoroCompounds; NitroCompounds.
Physical properties about Pyrrolidine,1-(4-fluoro-2-nitrophenyl)- are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 199.42; (5)ACD/BCF (pH 7.4): 200.66; (6)ACD/KOC (pH 5.5): 1538.18; (7)ACD/KOC (pH 7.4): 1547.73; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.06 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 52.99 cm3; (13)Molar Volume: 160 cm3; (14)Polarizability: 21×10-24cm3; (15)Surface Tension: 49.8 dyne/cm; (16)Density: 1.313 g/cm3; (17)Flash Point: 158.6 °C; (18)Enthalpy of Vaporization: 58.2 kJ/mol; (19)Boiling Point: 338.6 °C at 760 mmHg; (20)Vapour Pressure: 9.7E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(F)ccc1N2CCCC2
(2)InChI: InChI=1/C10H11FN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
(3)InChIKey: PSUGFUCCTASXGW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H11FN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
(5)Std. InChIKey: PSUGFUCCTASXGW-UHFFFAOYSA-N