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13673-92-2,MFCD02683889
Catalog No.:AA003IJ2
13673-92-2 | 3,5-Dichlorocatechol
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Technical Information
Catalog Number:
AA003IJ2
Chemical Name:
3,5-Dichlorocatechol
CAS Number:
13673-92-2
MDL Number:
MFCD02683889
IUPAC Name:
3,5-dichlorobenzene-1,2-diol
InChI:
InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
InChI Key:
XSXYVLIPQMXCBV-UHFFFAOYSA-N
Properties
Computed Properties
 
Complexity:
120  
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  

Synonyms
 
3,5-dichlorocatechol 
3,5-DICHLOROCATECHOL 
3,5-dichloropyrocatechol 
AC1L1AKR 
bmse000336 
SCHEMBL70194 
3,5-Dichlorocatechol, 97% 
3,5-Dichloro-1,2-benzenediol 
DTXSID5074509 
CHEBI:15788 
CTK8C5976 
XSXYVLIPQMXCBV-UHFFFAOYSA-N 
3,5-dichlorobenzene-1,2-diol 
ZINC404074 
3,5-Dichloro-1,2-benzenediol # 
1,2-dihydroxy-4,6-dichlorobenzene 
3,5-dichloro-1,2-dihydroxybenzene 
AKOS003368034 
MCULE-8900467405 
AN-18466 
ST088021 
TC-169954 
C02933 
13673-92-2 
J-006900 
I01-18453 
pyrocatechol 
Pyrocatechol, 3,5-dichloro- 
C6-H4-Cl2-O2 
1,2-Benzenediol,3,5-dichloro- 
c0290 
CID26173 
1,2-Benzenediol, 3,5-dichloro- 
3,5-Dichloro-benzene-1,2-diol 
CCRIS 4063 
35C 
3i4y 
ACMC-20and7 
Literature

Title: 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: Journal of structural biology 20100601

Title: Induction of enzymes of 2,4-dichlorophenoxyacetate degradation in Burkholderia cepacia 2a and toxicity of metabolic intermediates.

Journal: Biodegradation 20080901

Title: Transformation of phenolic compounds upon UVA irradiation of anthraquinone-2-sulfonate.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080301

Title: Carbon suboxide, a highly reactive intermediate from the abiotic degradation of aromatic compounds in soil.

Journal: Environmental science & technology 20071115

Title: Pseudomonas putida KT2440 responds specifically to chlorophenoxy herbicides and their initial metabolites.

Journal: Proteomics 20060601

Title: Phylogenetical approach to isolation of white-rot fungi capable of degrading polychlorinated dibenzo-p-dioxin.

Journal: Applied microbiology and biotechnology 20051201

Title: Two kinds of chlorocatechol 1,2-dioxygenase from 2,4-dichlorophenoxyacetate-degrading Sphingomonas sp. strain TFD44.

Journal: Biochemical and biophysical research communications 20050715

Title: Two unusual chlorocatechol catabolic gene clusters in Sphingomonas sp. TFD44.

Journal: Archives of microbiology 20050201

Title: A linear megaplasmid, p1CP, carrying the genes for chlorocatechol catabolism of Rhodococcus opacus 1CP.

Journal: Microbiology (Reading, England) 20040901

Title: Assimilatory detoxification of herbicides by Delftia acidovorans MC1: induction of two chlorocatechol 1,2-dioxygenases as a response to chemostress.

Journal: Microbiology (Reading, England) 20020901

Title: Analysis of oxidative degradation products of 2,4,6-trichlorophenol treated with air ions.

Journal: Analytical chemistry 20010715

Title: The chlorocatechol degradative genes, tfdT-CDEF, of Burkholderia sp. strain NK8 are involved in chlorobenzoate degradation and induced by chlorobenzoates and chlorocatechols.

Journal: Gene 20010502

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

Journal: Environmental toxicology and chemistry 20010201

Title: Purification of 3,5-dichlorocatechol 1,2-dioxygenase, a nonheme iron dioxygenase and a key enzyme in the biodegradation of a herbicide, 2,4-dichlorophenoxyacetic acid (2,4-D), from Pseudomonas cepacia CSV90.

Journal: Archives of biochemistry and biophysics 19930201

Title: Affinity purification and characterization of 2,4-dichlorophenol hydroxylase from Pseudomonas cepacia.

Journal: Archives of biochemistry and biophysics 19910701

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