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Merck

T6601

3,4,5,6-Tetrachloro-1,2-benzoquinone

97%

Synonym(s):

o-Chloranil

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About This Item

Linear Formula:
C6Cl4(=O)2
CAS Number:
2435-53-2
Molecular Weight:
245.88
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24900391
EC Number:
219-424-4
Beilstein/REAXYS Number:
1309782
MDL number:
MFCD00001646

Key Documents

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Product Name

3,4,5,6-Tetrachloro-1,2-benzoquinone, 97%

InChI key

VRGCYEIGVVTZCC-UHFFFAOYSA-N

InChI

1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9

SMILES string

ClC1=C(Cl)C(=O)C(=O)C(Cl)=C1Cl

assay

97%

mp

126-129 °C (lit.)

storage temp.

2-8°C

Quality Level

100

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

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GHS07,GHS09

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Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ2628
MKCQ4456
MKCQ2946
MKCN5217
MKCJ9949

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Frank Wurche et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 10(11), 2707-2721 (2004-06-15)
The effect of pressure on the oxidation of hydroarenes 3-9 with 2,3-dichloro-5,6-dicyano-1,4-quinone (DDQ; 1 a) or o-chloranil (10), leading to the corresponding arenes, has been investigated. The activation volumes were determined from the pressure dependence of the rate constants of
P H Lin et al.
Toxicology and applied pharmacology, 145(2), 399-408 (1997-08-01)
The dosimetry of chlorinated quinones arising from metabolism of pentachlorophenol (PCP), in the livers of male Sprague-Dawley rats and B6C3F1 mice was investigated via measurements of cysteinyl protein adducts and estimates of the second-order reaction rate constants between the quinones
Hamid R Zare et al.
The journal of physical chemistry. B, 113(23), 8080-8085 (2009-05-21)
The electrochemical reduction of o-chloranil (OCA) in aqueous solution has been studied experimentally and theoretically. The effects of temperature and pH on various thermodynamic parameters were studied by means of cyclic voltammetry. The pH dependence of the redox activity of
B Chakraborty et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 57(2), 223-229 (2001-02-24)
The equilibrium constants, enthalpies and entropies of formation of molecular electron donor-acceptor (EDA) complexes of o-chloranil with a series of aromatic hydrocarbons have been determined spectrophotometrically. Spectroscopic and thermodynamic aspects of these complexes have been analysed.
Dalim Kumar Roy et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 61(9), 2017-2022 (2005-05-25)
Cloxacillin sodium has been shown to form charge transfer (CT) complexes of 1:1 stoichiometry with a number of electron acceptors in 50% (v/v) aqueous ethanol medium. From the trends in the CT absorption bands, the vertical ionization potential of the
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