1198-55-6 | Tetrachlorocatechol

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$21.00	$15.00
1g	95%	in stock	$44.00	$31.00
5g	95%	in stock	$95.00	$67.00
25g	95%	in stock	$465.00	$325.00

Description

• Catalog Number: AA33054
• Chemical Name: Tetrachlorocatechol
• CAS Number: 1198-55-6
• Molecular Formula: C6H2Cl4O2
• Molecular Weight: 247.89088000000004
• MDL Number: MFCD00002190
• SMILES: Oc1c(O)c(Cl)c(c(c1Cl)Cl)Cl
• NSC Number: 29027

Computed Properties

• Complexity: 150
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• XLogP3: 4.3

Upstream Synthesis Route

The compound 3,4,5,6-Tetrachlorobenzene-1,2-diol, also known as tetrachlorohydroquinone, has a significant application in chemical synthesis as a versatile building block. This compound serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it a valuable precursor in the production of dyes, polymers, and other fine chemicals. Additionally, 3,4,5,6-Tetrachlorobenzene-1,2-diol is utilized in the preparation of complex organic compounds, owing to its ability to undergo selective chemical transformations and functional group interconversions. This compound plays a crucial role in organic synthesis by enabling the creation of diverse molecular structures with tailored properties and functionalities.

Literature

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  Inorganic chemistry 20121015

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• Oxidative double dehalogenation of tetrachlorocatechol by a bio-inspired CuII complex: formation of chloranilic acid.

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• Further characterization of Mitsunobu-type intermediates in the reaction of dialkyl azodicarboxylates with P(III) compounds.

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• Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase.

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• Chlorocatechols substituted at positions 4 and 5 are substrates of the broad-spectrum chlorocatechol 1,2-dioxygenase of Pseudomonas chlororaphis RW71.

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• Acute toxicity of (chloro-)catechols and (chloro-)catechol-copper combinations in Escherichia coli corresponds to their membrane toxicity in vitro.

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• cis-chlorobenzene dihydrodiol dehydrogenase (TcbB) from Pseudomonas sp. strain P51, expressed in Escherichia coli DH5alpha(pTCB149), catalyzes enantioselective dehydrogenase reactions.

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• Strobilurin M, tetrachloropyrocatechol and tetrachloropyrocatechol methyl ether: new antibiotics from a Mycena species.

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