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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4Cl2O2
Molecular Weight 179.001
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DICHLOROCATECHOL

SMILES

OC1=CC(Cl)=C(Cl)C=C1O

InChI

InChIKey=ACCHWUWBKYGKNM-UHFFFAOYSA-N
InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H

HIDE SMILES / InChI

Molecular Formula C6H4Cl2O2
Molecular Weight 179.001
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Induction of cytotoxicity, aldehydic DNA lesions, and poly(ADP-ribose) polymerase-1 activation by catechol derivatives of pentachlorophenol in calf thymus DNA and in human breast cancer cells.
2005 Feb
Degradation of polychlorinated dibenzo-p-dioxins in aqueous solution by Fe(II)/H2O2/UV system.
2006 Apr
Characterization of catechol derivative removal by lignin peroxidase in aqueous mixture.
2009 Apr
Fine-tuning of catalytic properties of catechol 1,2-dioxygenase by active site tailoring.
2009 Apr 17
Chlorophenols and chlorocatechols induce apoptosis in human lymphocytes (in vitro).
2009 Dec 15
Chlorophenols, chlorocatechols and chloroguaiacols induce DNA base oxidation in human lymphocytes (in vitro).
2010 Feb 9
Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
2010 Jun
2,4,5-trichlororophenol and its derivatives induce biochemical and morphological changes in human peripheral blood lymphocytes in vitro.
2010 Nov
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:31:34 GMT 2023
Edited
by admin
on Fri Dec 15 18:31:34 GMT 2023
Record UNII
ZGN07HXZ5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DICHLOROCATECHOL
Systematic Name English
DICHLOROCATECHOL, 4,5-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
222-331-1
Created by admin on Fri Dec 15 18:31:34 GMT 2023 , Edited by admin on Fri Dec 15 18:31:34 GMT 2023
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CAS
3428-24-8
Created by admin on Fri Dec 15 18:31:34 GMT 2023 , Edited by admin on Fri Dec 15 18:31:34 GMT 2023
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FDA UNII
ZGN07HXZ5R
Created by admin on Fri Dec 15 18:31:34 GMT 2023 , Edited by admin on Fri Dec 15 18:31:34 GMT 2023
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PUBCHEM
18909
Created by admin on Fri Dec 15 18:31:34 GMT 2023 , Edited by admin on Fri Dec 15 18:31:34 GMT 2023
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EPA CompTox
DTXSID7022207
Created by admin on Fri Dec 15 18:31:34 GMT 2023 , Edited by admin on Fri Dec 15 18:31:34 GMT 2023
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