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Merck
CN

91861

二苯并[a,h]蒽

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

别名:

1,2:5,6-二苯并蒽

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关于此项目

经验公式（希尔记法）:
C22H14
化学文摘社编号:
53-70-3
分子量:
278.35
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329770090
EC Number:
200-181-8
Beilstein/REAXYS Number:
1912416
MDL number:
MFCD00003708

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产品名称

二苯并[a,h]蒽, certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

InChI

1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H

SMILES string

c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23

InChI key

LHRCREOYAASXPZ-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

bp

524 °C (lit.)

mp

262-265 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

Quality Level

300

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Application

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

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.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Ion Mobility: TWCCSN2 value of 158.3 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 91861 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

flash_point_f

Not applicable

flash_point_c

Not applicable

分析证书(COA)

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M F Kirby et al.
Aquatic toxicology (Amsterdam, Netherlands), 81(3), 233-244 (2007-01-24)
The extent to which biological systems interact in fish from multi-contaminant areas needs to be understood for full interpretation of monitoring data. This study investigates the interaction between two biomarkers, ethoxyresorufin-O-deethylase (EROD) activity and plasma vitellogenin (VTG) in the European
Katarzyna Skupinska et al.
Toxicology in vitro : an international journal published in association with BIBRA, 23(5), 763-771 (2009-04-14)
Polycyclic aromatic hydrocarbons (PAHs)--environmental carcinogens--are metabolized by CYP1A1 and CYP1A2 enzymes to oxy-derivatives, which are able to bind to DNA and initiate carcinogenesis. PAHs induce CYP1A1 and CYP1A2 activity, which increases the risk of development of carcinogenesis. Isothiocyanates (ITCs), naturally
Zhi-Xin Yuan et al.
Chemical research in toxicology, 16(12), 1581-1588 (2003-12-19)
Benzo[b]phenanthro[2,3-d]thiophene (BPT), a thia analogue of dibenz[a,h]anthracene (DBA), is a carcinogenic environmental pollutant. We have examined the metabolism of BPT by rodent liver microsomes to investigate the mechanism by which BPT produces mutagenic and carcinogenic effects. Both rat and mouse
K B Okona-Mensah et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 43(7), 1103-1116 (2005-04-19)
Evidence suggests that people living in urban areas have an increased risk of lung cancer due to higher levels of air pollution in these areas. Benzo[a]pyrene (B[a]P) is currently used as the main indicator of carcinogenic polycyclic aromatic hydrocarbons (PAHs)
Heinz Frank et al.
Chemical research in toxicology, 24(12), 2258-2268 (2011-11-18)
The synthesis of the 8 possible stereoisomeric diol epoxides (DEs) at the terminal benzo ring of carcinogenic dibenz[a,h]anthracene (DBA) is reported. trans-3,4-Dihydroxy-3,4-dihydro-DBA (1) afforded the 4 bay region DEs: the enantiomeric pairs of the anti diastereomers (+)-3/(-)-3 and of the
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