Tetrachlorocatechol is a metabolite of pentachlorophenol. Tetrachlorocatechol is the most toxic chlorinated catechol produced during the chlorine bleaching process of pulp and is commonly found in kraft pulping wastewater.

Physicochemical Properties

Molecular Formula	C6H2CL4O2
Molecular Weight	247.89
Exact Mass	245.88
CAS #	1198-55-6
PubChem CID	14537
Appearance	Light brown to light yellow solid powder
Density	1.8±0.1 g/cm3
Boiling Point	309.1±37.0 °C at 760 mmHg
Melting Point	184-186°C (dec.)
Flash Point	140.7±26.5 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.662
LogP	4.74
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Complexity	150
Defined Atom Stereocenter Count	0
InChi Key	RRBMVWQICIXSEO-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
Chemical Name	3,4,5,6-tetrachlorobenzene-1,2-diol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Acute toxicities of pentachlorophenol, pentachloroanisole, tetrachlorohydroquinone, tetrachlorocatechol, tetrachlororesorcinol, tetrachlorodimethoxybenzenes and tetrachlorobenzenediol diacetates administered to mice, Toxicological & Environmental Chemistry, 11:1, 37-50. [2]. Evaluation of Acute Toxicity Levels and Ethological Responses Under Tetrachlorocatechol Exposure in Common Carp, Cyprinus carpio (Linnaeus). Proc Zool Soc 67, 108–113 (2014).

Additional Infomation

Tetrachlorocatechol is a chlorocatechol that is catechol in which all of the hydrogens attached to the benzene ring are replaced by chlorines. It is a chlorocatechol and a tetrachlorobenzene. It is functionally related to a 1,2,3,4-tetrachlorobenzene. Tetrachlorocatechol has been reported in Mycena with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (403.40 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.09 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.09 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (10.09 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.0340 mL	20.1702 mL	40.3405 mL
	5 mM	0.8068 mL	4.0340 mL	8.0681 mL
	10 mM	0.4034 mL	2.0170 mL	4.0340 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.