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Merck

51968

Benzo[a]pyrene

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

3,4-Benzopyrene, 3,4-Benzpyrene, Benzo[def]chrysene

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About This Item

Empirical Formula (Hill Notation):
C20H12
CAS Number:
50-32-8
Molecular Weight:
252.31
UNSPSC Code:
12352005
NACRES:
NA.24
PubChem Substance ID:
329757770
EC Number:
200-028-5
Beilstein/REAXYS Number:
1911333
MDL number:
MFCD00003602

Product Name

Benzo[a]pyrene, certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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

InChI key

FMMWHPNWAFZXNH-UHFFFAOYSA-N

SMILES string

c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45

grade

certified reference material
TraceCERT®

product line

TraceCERT®

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

storage condition

under inert gas (argon)

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

495 °C (lit.)

mp

177-180 °C (lit.)

Quality Level

300

application(s)

environmental

format

neat

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Benzo[a]pyrene is a high molecular weight, polycyclic aromatic hydrocarbon, which is formed the pyrolysis of organic matter, and are present in the environment particularly in the atmosphere as particulate matter.
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

Other Notes

Ion Mobility: TWCCSN2 value of 147.9 Å2 [M+H]+

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N 51968 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

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

Storage Class

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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Bioaccumulation in Marine Organisms: Effect of Contaminants from Oil Well Produced Water (2002)
National air toxics program the integrated urban strategy, report to Congress (2000)
Yuji Fujita et al.
Bioorganic & medicinal chemistry, 18(3), 1194-1203 (2010-01-12)
The physiological role of aryl hydrocarbon receptor (AhR) is not yet fully understood, and investigation is hampered by the limited solubility of reported AhR ligands in aqueous media. To achieve improved solubility, we focused on our previous finding that planarity-disruption
K P Miller et al.
Drug metabolism reviews, 33(1), 1-35 (2001-03-29)
Polycyclic aromatic hydrocarbons are ubiquitous contaminants in the environment. Benzo[a]pyrene (BaP), a prototypical member of this class of chemicals, has been extensively studied for its toxic effects in laboratory animals and human populations. BaP toxicity is often mediated by oxidative
Studies on the metabolism of benzo[a]pyrene and dose-dependent differences in the mutagenic profile of its ultimate carcinogenic metabolite.
A H Conney et al.
Drug metabolism reviews, 26(1-2), 125-163 (1994-01-01)
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