03323

Benzo[k]fluoranthene

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

• Empirical Formula (Hill Notation): C₂₀H₁₂
• CAS Number: 207-08-9
• Molecular Weight: 252.31
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329747589
• EC Number: 205-916-6
• Beilstein/REAXYS Number: 1873745
• MDL number: MFCD00046287

Properties

• Quality Level: 300
• product line: TraceCERT^®
• grade: certified reference material, TraceCERT^®
• shelf life: limited shelf life, expiry date on the label
• manufacturer/tradename: Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• mp: 215-217 °C (lit.)
• solubility: 95% ethanol: <1 mg/mL at 20 °C, DMSO: <1 mg/mL at 20 °C, H₂O: <1 mg/mL at 20 °C, acetone: 1-10 mg/mL at 20 °C, methanol: <1 mg/mL at 20 °C, toluene: 5-10 mg/mL at 20 °C
• application(s): cleaning products; cosmetics; environmental; food and beverages; personal care
• format: neat
• storage temp.: 2-8°C
• SMILES string: c1ccc2cc-3c(cc2c1)-c4cccc5cccc-3c45
• InChI: 1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
• InChI key: HAXBIWFMXWRORI-UHFFFAOYSA-N

Description

General description

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)

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Ion Mobility: ^TWCCS_N2 value of 150.4 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 03323 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,GHS09
• signalword: Danger
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• hcodes: H350,H410,EUH441
• pcodes: P201 - P202 - P273 - P308 + P313 - P391 - P501
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - PBT - vPvB