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Merck
CN

03323

苯并[k]荧蒽

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

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关于此项目

经验公式（希尔记法）:
C20H12
化学文摘社编号:
207-08-9
分子量:
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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产品名称

苯并[k]荧蒽, certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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

SMILES string

c1ccc2cc-3c(cc2c1)-c4cccc5cccc-3c45

InChI key

HAXBIWFMXWRORI-UHFFFAOYSA-N

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

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

Quality Level

300

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相关类别

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)

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.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Legal Information

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

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

hcodes

H350,H410

Hazard Classifications

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

存储类别

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

wgk

WGK 3

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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
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
Luqing Pan et al.
Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, 141(3), 248-256 (2005-08-13)
Scallops (Chlamys ferrari) were cultured for 30 days in seawater containing benzo(k)fluoranthene (BkF) at 0.5, 1.0 and 10.0 microg/L. No effects were noted on 7-ethoxyresorufin O-deethylase (EROD) activity in digestive gland at low concentrations (0.5 and 1 microg/L) of BkF
Alberto Modelli et al.
The journal of physical chemistry. A, 110(20), 6482-6486 (2006-05-19)
The gas-phase experimental adiabatic electron affinities (AEAs) of the polycyclic aromatic hydrocarbons (PAHs) anthracene, tetracene, pentacene, chrysene, pyrene, benzo[a]pyrene, benzo[e]pyrene, and fluoranthene are well reproduced using the hybrid density functional method B3LYP with the 6-31+G* basis set, indicating that the
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
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