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

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 300
• 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.)
• application(s): environmental
• format: neat
• SMILES string: c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
• 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

Description

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.

Application

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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Ion Mobility: ^TWCCS_N2 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.

Legal Information

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

Safety Information

• pictograms: GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H317,H340,H350,H360FD,H410
• pcodes: P202 - P261 - P273 - P280 - P302 + P352 - P308 + P313
• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable