4,5-Dichlorocatechol - CAS 3428-24-8

Name: 4,5-Dichlorocatechol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022043
Product Name:	4,5-Dichlorocatechol
CAS:	3428-24-8
Synonyms:	4,5-dichlorobenzene-1,2-diol

Technical Data

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Computed Properties

IUPAC Name:	4,5-dichlorobenzene-1,2-diol
Description:	Intermediate in the preparation of Dioxin derivatives.
Molecular Weight:	179.00
Molecular Formula:	C6H4Cl2O2
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Cl)O)O
InChI:	InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
InChI Key:	ACCHWUWBKYGKNM-UHFFFAOYSA-N
Boiling Point:	302.2 °C at 760 mmHg
Density:	1.624 g/cm³
Appearance:	Brown solid
LogP:	2.40460

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Related Functional Groups

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[37503-42-7]C10H14O3
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111171085-A	Rhamnose donor protected by orthocarbonate, and preparation method and application thereof	20200114
US-2021032407-A1	Work time to walk-on time ratio by adding a phenolic catalyst to polyaspartic flooring formulations	20190731
WO-2021021801-A1	Improved work time to walk-on time ratio by adding a phenolic catalyst to polyaspartic flooring formulations	20190731
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430
TW-202106671-A	Modulators of the integrated stress pathway	20190430

PMID	Publication Date	Title	Journal
21974851	20111130	Characterization of the propanil biodegradation pathway in Sphingomonas sp. Y57 and cloning of the propanil hydrolase gene prpH	Journal of hazardous materials
20364251	20101101	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
20040374	20100601	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
20025924	20100209	Chlorophenols, chlorocatechols and chloroguaiacols induce DNA base oxidation in human lymphocytes (in vitro)	Toxicology
19766705	20091215	Chlorophenols and chlorocatechols induce apoptosis in human lymphocytes (in vitro)	Toxicology letters

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.9588348
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.9588348
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7