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CAS No.: | 298690-74-1 |
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Name: | 3-(2-CHLORO-PHENYL)-PYRROLIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H12ClN |
Molecular Weight: | 181.665 |
Synonyms: | 2-(3-Chlorophenyl)pyrrolidine; |
Density: | 1.129 g/cm3 |
Boiling Point: | 260.1 °C at 760 mmHg |
Flash Point: | 111.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 12.03000 |
LogP: | 3.09330 |
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The 3-(2-Chloro-phenyl)-pyrrolidine is an organic compound with the formula C10H12ClN. The systematic name of this chemical is 3-(2-chlorophenyl)pyrrolidine. With the CAS registry number 298690-74-1, it is also named as pyrrolidine, 3-(2-chlorophenyl)-. Besides, it is commonly used as pharmaceutical intermediates.
Physical properties about 3-(2-Chloro-phenyl)-pyrrolidine are: (1)ACD/LogP: 2.26; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 3.24 Å2; (6)Index of Refraction: 1.548; (7)Molar Refractivity: 51.13 cm3; (8)Molar Volume: 160.8 cm3; (9)Polarizability: 20.27×10-24cm3; (10)Surface Tension: 39 dyne/cm; (11)Density: 1.129 g/cm3; (12)Flash Point: 111.1 °C; (13)Enthalpy of Vaporization: 49.77 kJ/mol; (14)Boiling Point: 260.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0125 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C2CCNC2
(2)InChI: InChI=1/C10H12ClN/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
(3)InChIKey: RCQFNQQYVSNBOJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H12ClN/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
(5)Std. InChIKey: RCQFNQQYVSNBOJ-UHFFFAOYSA-N