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| CAS No.: | 54660-08-1 |
|---|---|
| Name: | 1-(4-Fluorophenyl)-2-pyrrolidinone |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H14FN |
| Molecular Weight: | 179.194 |
| Synonyms: | 1-(4-Fluorophenyl)pyrrolidin-2-one;2-Pyrrolidinone, 1-(4-fluorophenyl)-; |
| Density: | 1.238 g/cm3 |
| Melting Point: | 55-58 °C |
| Boiling Point: | 375.1 °C at 760 mmHg |
| Flash Point: | 180.6 °C |
| Appearance: | beige crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 20.31000 |
| LogP: | 2.01750 |
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- Total:19 Page 1 of 1 1
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Specification
The 1-(4-Fluorophenyl)-2-pyrrolidinone, with the CAS registry number 54660-08-1, is also known as 2-Pyrrolidinone, 1-(4-fluorophenyl)-. This chemical's molecular formula is C11H14FN and molecular weight is 179.19. What's more, its systematic name is 1-(4-fluorophenyl)pyrrolidin-2-one. When using it, you should avoid contact with skin and eyes. It should be sealed and stored in a cool and dry place.
Physical properties of 1-(4-Fluorophenyl)-2-pyrrolidinone are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.37; (6)ACD/BCF (pH 7.4): 7.37; (7)ACD/KOC (pH 5.5): 145.36; (8)ACD/KOC (pH 7.4): 145.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 46.58 cm3; (15)Molar Volume: 144.6 cm3; (16)Polarizability: 18.46×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 62.25 kJ/mol; (21)Boiling Point: 375.1 °C at 760 mmHg; (22)Vapour Pressure: 7.99E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)N2C(=O)CCC2
(2)InChI: InChI=1S/C10H10FNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
(3)InChIKey: SZZJBOHBVUOQFP-UHFFFAOYSA-N