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03323

Supelco

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
Beilstein:
1873745
EC Number:
205-916-6
MDL number:
MFCD00046287
UNSPSC Code:
41116107
PubChem Substance ID:
329747589
NACRES:
NA.24

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

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

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

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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

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

Pictograms

Health hazardEnvironment
GHS08,GHS09

Signal Word

Danger

Hazard Statements

H350,H410

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF3574
BCBT8791
BCBK1355V
BCBD3128V
BCBD3128

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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
David C Spink et al.
Toxicology and applied pharmacology, 226(3), 213-224 (2007-10-09)
The interactions of polycyclic aromatic hydrocarbons (PAH) and cytochromes P450 (CYP) are complex; PAHs are enzyme inducers, substrates, and inhibitors. In T-47D breast cancer cells, exposure to 0.1 to 1 microM benzo(k)fluoranthene (BKF) induced CYP1A1/1B1-catalyzed 17beta-estradiol (E(2)) metabolism, whereas BKF
L Q Pan et al.
Environmental pollution (Barking, Essex : 1987), 141(3), 443-451 (2005-11-08)
The effects of benzo(a)pyrene (BaP), benzo(k)fluoranthene (BkF) and their mixture on antioxidant enzyme activities and lipid peroxidation (LPO) levels of haemolymph of scallop (Chlamys ferrari) were studied. The superoxide dismutase (SOD) activities of 0.5 microg/L and 1.0 microg/L were significantly
Erin E Bessette et al.
Drug metabolism and disposition: the biological fate of chemicals, 33(3), 312-320 (2004-12-04)
Polycyclic aromatic hydrocarbons (PAHs) and heavy metals are often environmental cocontaminants that could interact to alter PAH carcinogenicity. The heavy metal, arsenite, and the PAH, benzo[k]fluoranthene, were used as prototypes to investigate, in human HepG2 cells, mechanisms whereby the bioactivation
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