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298690-74-1

Basic Information
CAS No.: 298690-74-1
Name: 3-(2-CHLORO-PHENYL)-PYRROLIDINE
Article Data: 5
Molecular Structure:
Molecular Structure of 298690-74-1 (3-(2-CHLORO-PHENYL)-PYRROLIDINE)
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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    Molecular Formula C10H12ClN Molecular Weight 181.66 CAS Registry Number 298690-74-1 Name2-(3-Chlorophenyl)pyrrolidineMolec…

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Specification

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