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Merck
CN

12488

Sigma-Aldrich

Benzo[k]fluoranthene

puriss., ≥99.0% (GC)

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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:
12352200
PubChem Substance ID:
329749745

Key Documents

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grade

puriss.

Assay

≥99.0% (GC)

mp

215-217 °C (lit.)
215-217 °C

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

fluorescence

λex 306 nm; λem 411 nm in acetonitrile: water (1:1)

suitability

suitable for fluorescence

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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Application

Non-carcinogenic standard in environmental research

Analysis Note

In addition to the emission maximum at 411 nm, there are lower maxima at 435 and 460 nm.

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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
Tohru Saitoh et al.
Talanta, 79(2), 177-182 (2009-06-30)
A simple and rapid method for the highly sensitive determination of polycyclic aromatic hydrocarbons (PAHs) in water was developed. Benzo[a]pyrene, benzo[k]fluoranthene, perylene, and pyrene in water were concentrated into sodium dodecyl sulfate (SDS)-alumina admicelles. The collection was performed by adding
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
Petra Booij et al.
Environmental toxicology and chemistry, 30(4), 898-904 (2010-12-31)
In bioassays, exposure concentrations of test compounds are usually expressed as nominal concentrations. As a result of various processes, such as adsorption, degradation, or uptake, the actual freely dissolved concentration of the test compound may differ from the nominal concentration.
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