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Structure

4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical [Catalyst for Oxidation]

CAS
3225-26-1
Catalog Number
ACM3225261
Category
Other Products
Molecular Weight
276.36
Molecular Formula
C16H22NO3

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Specification

Synonyms
4-Hydroxy-TEMPO Benzoate Free Radical
4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical
4-Benzoyloxy-TEMPO Free Radical
IUPAC Name
(1-λ1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;
Canonical SMILES
CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C;
InChI
InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChI Key
MJEDTBDGYVATPI-UHFFFAOYSA-N
Melting Point
104 °C
Appearance
Light yellow to Brown powder to crystal
Storage
Store under inert gas
Complexity
341
Condition To Avoid
Hygroscopic,Heat Sensitive
Covalently-Bonded Unit Count
1
Exact Mass
276.16g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
H-Bond Acceptor
3
Heavy Atom Count
20
MDL Number
MFCD00075563
Monoisotopic Mass
276.16g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
3
Signal Word
Warning
Topological Polar Surface Area
30.5A^2
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