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Sigma-Aldrich

Benzo[a]pyrene-d12

98 atom % D

Synonym(s):

Deuterated benzo[a]pyrene, 3,4-Benzopyrene-d12

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About This Item

Empirical Formula (Hill Notation):
C20D12
CAS Number:
63466-71-7
Molecular Weight:
264.38
MDL number:
MFCD00143664
UNSPSC Code:
12352200
PubChem Substance ID:
24868654
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

Assay

99% (CP)

form

solid

bp

495 °C (lit.)

mp

177-180 °C (lit.)

mass shift

M+12

SMILES string

[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c2c3c45

InChI

1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

InChI key

FMMWHPNWAFZXNH-AQZSQYOVSA-N

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General description

Benzo[a]pyrene-d12 is an isotope-labeled analog of the polycyclic aromatic hydrocarbon benzo[a]pyrene, wherein all the carbon attached protons (C-H) are replaced by deuterium atoms.

Application

Benzo[a]pyrene-d12 can be used as a stable isotope internal standard for the quantification of benzo(a)pyrene content in specific food samples using gas chromatography/mass spectrometry.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - Muta. 1B - Repr. 1B - Skin Sens. 1

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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