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3,4,6-Trichlorocatechol

CAT: 0804-HY-133610-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133610-01Size:5 mg
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Description
3,4,6-trichlorocatechol (TCC) is the metabolite produced by industrial pollutant through post-mitochondrial liver fraction from Aroclor-1254 induced rats[1].
CAS Number
32139-72-3
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-4-6-trichlorocatechol.html
Solubility
10 mM in DMSO
Smiles
OC1=C(Cl)C=C(Cl)C(Cl)=C1O
Molecular Formula
C6H3Cl3O2
Molecular Weight
213.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
References & Citations
[1]U Juhl, et al. The induction of DNA strand breaks and formation of semiquinone radicals by metabolites of 2,4,5-trichlorophenol. Free Radic Res Commun. 1991;11 (6) :295-305.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,4,6-Trichlorocatechol

3,4,6-trichlorocatechol is a trichlorocatechol. It is a conjugate acid of a 3,4,6-trichlorocatechol(1-).

CAS Number32139-72-3
PubChem CID32817
IUPAC Name3,4,6-trichlorobenzene-1,2-diol
Molecular FormulaC6H3Cl3O2
Molecular Weight213.4
XLogP3.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
C1=C(C(=C(C(=C1Cl)Cl)O)O)Cl
InChI
InChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H
InChIKey
LZHZRJKVYOHNTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,6-Trichlorocatechol
CAS: 32139-72-3
CID: 32817
Formula: C6H3Cl3O2
MW: 213.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass211.919862
Monoisotopic Mass211.919862
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
RM-C030519-013,4,6-Trichlorocatechol
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