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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
2,4,5-trichlororophenol and its derivatives induce biochemical and morphological changes in human peripheral blood lymphocytes in vitro.
2010-11
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.
2010-06
Chlorophenols, chlorocatechols and chloroguaiacols induce DNA base oxidation in human lymphocytes (in vitro).
2010-02-09
Chlorophenols and chlorocatechols induce apoptosis in human lymphocytes (in vitro).
2009-12-15
Fine-tuning of catalytic properties of catechol 1,2-dioxygenase by active site tailoring.
2009-04-17
Characterization of catechol derivative removal by lignin peroxidase in aqueous mixture.
2009-04
Degradation of polychlorinated dibenzo-p-dioxins in aqueous solution by Fe(II)/H2O2/UV system.
2006-04
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.
2005-02
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:14:25 GMT 2025
Edited
by admin
on Mon Mar 31 19:14:25 GMT 2025
Record UNII
ZGN07HXZ5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICHLOROCATECHOL, 4,5-
Preferred Name English
4,5-DICHLOROCATECHOL
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
222-331-1
Created by admin on Mon Mar 31 19:14:25 GMT 2025 , Edited by admin on Mon Mar 31 19:14:25 GMT 2025
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CAS
3428-24-8
Created by admin on Mon Mar 31 19:14:25 GMT 2025 , Edited by admin on Mon Mar 31 19:14:25 GMT 2025
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FDA UNII
ZGN07HXZ5R
Created by admin on Mon Mar 31 19:14:25 GMT 2025 , Edited by admin on Mon Mar 31 19:14:25 GMT 2025
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PUBCHEM
18909
Created by admin on Mon Mar 31 19:14:25 GMT 2025 , Edited by admin on Mon Mar 31 19:14:25 GMT 2025
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EPA CompTox
DTXSID7022207
Created by admin on Mon Mar 31 19:14:25 GMT 2025 , Edited by admin on Mon Mar 31 19:14:25 GMT 2025
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