Home Halogens 4,5-Dichlorocatechol

4,5-Dichlorocatechol

CAS No.:
3428-24-8
Catalog Number:
AG003KHL
Molecular Formula:
C6H4Cl2O2
Molecular Weight:
179.0008
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$563
- +
10g
96%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG003KHL
Chemical Name:
4,5-Dichlorocatechol
CAS Number:
3428-24-8
Molecular Formula:
C6H4Cl2O2
Molecular Weight:
179.0008
MDL Number:
MFCD00463757
IUPAC Name:
4,5-dichlorobenzene-1,2-diol
InChI:
InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
InChI Key:
ACCHWUWBKYGKNM-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c(cc1O)Cl
EC Number:
222-331-1
UNII:
ZGN07HXZ5R
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.959g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.996g/mol
Monoisotopic Mass:
177.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Characterization of the propanil biodegradation pathway in Sphingomonas sp. Y57 and cloning of the propanil hydrolase gene prpH. Journal of hazardous materials 20111130
2,4,5-trichlororophenol and its derivatives induce biochemical and morphological changes in human peripheral blood lymphocytes in vitro. Archives of environmental contamination and toxicology 20101101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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. Journal of structural biology 20100601
Chlorophenols, chlorocatechols and chloroguaiacols induce DNA base oxidation in human lymphocytes (in vitro). Toxicology 20100209
Chlorophenols and chlorocatechols induce apoptosis in human lymphocytes (in vitro). Toxicology letters 20091215
Fine-tuning of catalytic properties of catechol 1,2-dioxygenase by active site tailoring. Chembiochem : a European journal of chemical biology 20090417
Characterization of catechol derivative removal by lignin peroxidase in aqueous mixture. Bioresource technology 20090401
Degradation of polychlorinated dibenzo-p-dioxins in aqueous solution by Fe(II)/H2O2/UV system. Chemosphere 20060401
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. Chemical research in toxicology 20050201
Chlorocatechols substituted at positions 4 and 5 are substrates of the broad-spectrum chlorocatechol 1,2-dioxygenase of Pseudomonas chlororaphis RW71. Journal of bacteriology 20010201
Properties