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Piperidine,1-[2-(4-bromophenoxy)ethyl]-

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Name

Piperidine,1-[2-(4-bromophenoxy)ethyl]-

EINECS N/A
CAS No. 836-58-8 Density 1.293 g/cm3
PSA 12.47000 LogP 3.25170
Solubility N/A Melting Point N/A
Formula C13H18BrNO Boiling Point 362.5 °C at 760 mmHg
Molecular Weight 284.196 Flash Point 173 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 836-58-8 (1-[2-(4-BROMO-PHENOXY)-ETHYL]-PIPERIDINE) Hazard Symbols N/A
Synonyms

1-[2-(4-Bromophenoxy)ethyl]piperidine;4-[2-Piperidinoethoxy]phenyl bromide;1-Bromo-4-[2-(1-piperidinyl)ethoxy]benzene;Piperidine,1-[2-(p-bromophenoxy)ethyl]- (7CI,8CI);Piperidine, 1-[2-(4-bromophenoxy)ethyl]-;

Article Data 10

Piperidine,1-[2-(4-bromophenoxy)ethyl]- Specification

The Piperidine,1-[2-(4-bromophenoxy)ethyl]-, with the CAS registry number 836-58-8, has the systematic name of 1-[2-(4-bromophenoxy)ethyl]piperidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H18BrNO.

The characteristics of Piperidine,1-[2-(4-bromophenoxy)ethyl]- are as followings: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 69.89 cm3; (9)Molar Volume: 219.6 cm3; (10)Polarizability: 27.7×10-24cm3; (11)Surface Tension: 39.9 dyne/cm; (12)Density: 1.293 g/cm3; (13)Flash Point: 173 °C; (14)Enthalpy of Vaporization: 60.85 kJ/mol; (15)Boiling Point: 362.5 °C at 760 mmHg; (16)Vapour Pressure: 1.92E-05 mmHg at 25°C. 

Preparation of Piperidine,1-[2-(4-bromophenoxy)ethyl]-: This chemical can be prepared by 2-πperidin-1-yl-ethanol and 4-bromo-phenol. The reaction will need reagent PPh3, di-iso-propyl-azodicarboxylate and Et3N, and the menstruum tetrahydrofuran. The reaction time is 7 hours with temperature of 0-20°C, and the yield is about 85%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(OCCN1CCCCC1)cc2
(2)InChI: InChI=1/C13H18BrNO/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2
(3)InChIKey: PDUKJODPFIFHNK-UHFFFAOYAO

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