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152560

Sigma-Aldrich

BDPA complex with benzene(1:1), free radical

Synonym(s):

α,γ-Bisdiphenylene-β-phenylallyl

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About This Item

Empirical Formula (Hill Notation):
C39H27
CAS Number:
Molecular Weight:
495.63
MDL number:
UNSPSC Code:
12352000
PubChem Substance ID:
NACRES:
NA.22

form

solid

mp

210 °C (dec.) (lit.)

SMILES string

C1(C([C]2C(C=CC=C3)=C3C4=C2C=CC=C4)=C5C(C=CC=C6)=C6C7=C5C=CC=C7)=CC=CC=C1.C8=CC=CC=C8

InChI

1S/C33H21.C6H6/c1-2-12-22(13-3-1)31(32-27-18-8-4-14-23(27)24-15-5-9-19-28(24)32)33-29-20-10-6-16-25(29)26-17-7-11-21-30(26)33;1-2-4-6-5-3-1/h1-21H;1-6H

InChI key

JLJWIVHYUCBSRC-UHFFFAOYSA-N

General description

BDPA complex with benzene (1:1) is a stable organic radical commonly employed in dynamic nuclear polarization NMR studies.

Application

BDPA complex with benzene (1:1), free radical is used to study the antiradical activities of some flavonols, flavones, flavanones, and flavan-3-ols.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Kinetic study of flavonoid reactions with stable radicals
Butkovic V, et al.
Journal of Agricultural and Food Chemistry, 52(10), 2816-2820 (2004)
Electron spin relaxation and heterogeneity of the 1:1 ?,?-bisdiphenylene-?-phenylallyl (BDPA)/benzene complex
Mitchell DG, et al.
The Journal of Physical Chemistry B, 115(24), 7986-7990 (2011)

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