Bis(2,2,6,6-tetramethyl-4-piperidyl-1-oxyl) Sebacate, ≥95%

Cat No:BME-0107

Description

This molecule carries two TEMPO nitroxide radicals joined through a sebacate ester linker. Each radical undergoes a fast, reversible one-electron oxidation to the oxoammonium cation, and because that couple sits at a well-defined potential it functions as a redox shuttle that shuttles charge past an overcharged electrode instead of letting the cell voltage run away. The same reversible couple makes the compound interesting as a radical polymer electrode material, since the ester linker allows it to be built into larger architectures. It melts at 101°C and is sensitive to both light and heat, so it is stored cold and shipped cold. Minimum assay is 95%.

Datasheet

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Basic Information

Chemical Formula	C28H50N2O6
Molecular Weight	510.72 g/mol
Storage Conditions	2-8°C.
Purity	≥95%
Primary Application	Redox shuttle additive for overcharge protection in lithium-ion cells; nitroxide radical building block for organic radical battery electrodes.
EC Number	620-546-9
English Synonyms	Bis(2,2,6,6-tetramethyl-1-piperidinyloxy-4-yl) sebacate; sebacic acid bis(2,2,6,6-tetramethyl-4-piperidyl-1-oxyl) ester
Molecular Type	Small molecule
Melting Point	101 °C
Sensitivity	Light sensitive and heat sensitive.
InChI	1S/C28H50N2O6/c1-25(2)17-21(18-26(3,4)29(25)33)35-23(31)15-13-11-9-10-12-14-16-24(32)36-22-19-27(5,6)30(34)28(7,8)20-22/h21-22H,9-20H2,1-8H3
InChI Key	XVJWWMHPPKXKRU-UHFFFAOYSA-N
SMILES	CC1(CC(CC(N1[O])(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)[O])(C)C)C
Isomeric SMILES	CC1(CC(CC(N1[O])(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)[O])(C)C)C
Reaxys RN	12468017
GHS Pictograms	GHS07
Signal Word	Warning
Hazard Statements	H315: Causes skin irritation. H319: Causes serious eye irritation.
Precautionary Statements	P264: Wash thoroughly after handling. P280: Wear protective gloves, protective clothing, eye protection and face protection. P302+P352: IF ON SKIN: Wash with plenty of water. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention. P362+P364: Take off contaminated clothing and wash it before reuse. P501: Dispose of contents and container in accordance with local regulations.
Shipping Conditions	Cold chain transport.
Available Package Sizes	100 mg, 250 mg, 1 g, 5 g, 25 g
XLogP3	5.400
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	510.367 Da
Monoisotopic Mass	510.367 Da
Topological Polar Surface Area	61.100 Å²
Heavy Atom Count	36
Complexity	650.000
Covalently Bonded Unit Count	1

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