CAS No.836-58-8,1-[2-(4-BROMO-PHENOXY)-ETHYL]-PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	836-58-8
Name:	1-[2-(4-BROMO-PHENOXY)-ETHYL]-PIPERIDINE
Article Data:	10

Formula:	C₁₃H₁₈BrNO
Molecular Weight:	284.196
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]-;
Density:	1.293 g/cm³
Boiling Point:	362.5 °C at 760 mmHg
Flash Point:	173 °C
PSA:	12.47000
LogP:	3.25170

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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