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Sigma-Aldrich

Pentachlorobenzene

96%

Synonym(s):

1,2,3,4,5-Pentachlorobenzene

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About This Item

Linear Formula:
HC6Cl5
CAS Number:
608-93-5
Molecular Weight:
250.34
Beilstein:
1911550
EC Number:
210-172-0
MDL number:
MFCD00000539
UNSPSC Code:
12352100
PubChem Substance ID:
24848006
NACRES:
NA.22

Assay

96%

form

solid

bp

275-277 °C (lit.)

mp

84-87 °C (lit.)

density

1.609 g/mL at 25 °C (lit.)

SMILES string

Clc1cc(Cl)c(Cl)c(Cl)c1Cl

InChI

1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

InChI key

CEOCDNVZRAIOQZ-UHFFFAOYSA-N

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General description

Pentachlorobenzene was determined in the water samples by packed sorbent (MEPS) coupled directly to programmed temperature vaporizer-gas chromatography-mass spectrometry.

Application

Pentachlorobenzene was used to prepare tetrachlorobenzene by photolysis.

Signal Word

Danger

Hazard Statements

H228,H302,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Sol. 1

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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Synthesis of bridgehead fluorides by fluorodeiodination.
Della EW and Head NJ. et al.
The Journal of Organic Chemistry, 57(10), 2850-2855 (1992)
Gloria Grueiro Noche et al.
Analytical and bioanalytical chemistry, 405(21), 6739-6748 (2013-06-20)
A fully automated method consisting of microextraction by packed sorbent (MEPS) coupled directly to programmed temperature vaporizer-gas chromatography-mass spectrometry (PTV-GC-MS) has been developed to determine the 12 chlorobenzene congeners (chlorobenzene; 1,2-, 1,3-, and 1,4-dichlorobenzene; 1,2,3-, 1,2,4-, and 1,3,5-trichlorobenzene; 1,2,3,4-, 1,2,3,5-
Ewa Ł Gregoraszczuk et al.
Reproductive toxicology (Elmsford, N.Y.), 31(4), 494-499 (2011-02-08)
In the current study, we determined in vitro accumulation of hexachlorobenzene (HCBz) and pentachlorobenzene (PeCBz) in porcine ovarian follicles, the effect on steroidogenesis and the expression of enzymes responsible for steroid synthesis. Sixty percent of the HCBz and almost 100%
Ott Roots et al.
Environmental science and pollution research international, 17(3), 740-749 (2009-04-08)
Passive air sampling survey of the Central and Eastern Europe was initiated in 2006. This paper presents data on toxic organic compounds such as polychlorinated biphenyls (PCB 28, 52, 101, 118, 153, 138, and 180), hexachlorobenzene (HCB), pentachlorobenzene (PeCB), hexachlorocyclohexane
Feng Xu et al.
Protein engineering, design & selection : PEDS, 20(10), 473-480 (2007-10-27)
We had reported engineering of the heme monooxygenase cytochrome P450cam from Pseudomonas putida with the F87W/Y96F/L244A/V247L mutations for the oxidation of pentachlorobenzene (PeCB), a recalcitrant environmental contaminant, to pentachlorophenol. In order to provide further insights into P450 structure, function and
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