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03323

Benzo[k]fluoranthene

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

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About This Item

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
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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

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: TWCCSN2 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

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pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

Storage Class

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

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - PBT - vPvB

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

207-08-9

CAS No.

207-08-9

CAS No.

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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K L Willett et al.
Toxicology and applied pharmacology, 177(3), 264-271 (2001-12-26)
Certainpolynuclear aromatic hydrocarbons (PAHs) such as benzo[a]pyrene (BaP) induce CYP1A-dependent enzyme activities. Because PAHs are ubiquitous environmental contaminants, and some are aryl hydrocarbon agonists, CYP1A has been used as a biomarker for PAH exposure. However, PAHs exist in the environment
Hiroyuki Masaki et al.
The Analyst, 130(9), 1253-1257 (2005-08-13)
We developed a device and some systems for detecting benzo[a]pyrene (B[a]P) and benzo[k]fluoranthene (B[k]F). The device uses a UV light-emitting diode that emits light with a wavelength of 370 nm and a violet laser diode that emits light with a
G Verrhiest et al.
Ecotoxicology (London, England), 10(6), 363-372 (2002-01-05)
Polycyclic Aromatic Hydrocarbons (PAHs) are ubiquitous pollutants of sediments. Sediment quality criteria often use toxicity data for individual PAHs. However, PAHs always occur in field sediments as a complex mixture of compounds. In this study, the toxicity of phenanthrene (P)
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