Tetrachlorocatechol - CAS 1198-55-6

Name: Tetrachlorocatechol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3,4,5,6-tetrachlorobenzene-1,2-diol
Description:	Tetrachlorocatechol (CAS# 1198-55-6) is an intermediate in the synthesis of Heptachlorodibenzo-p-dioxin which is a toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.
Molecular Weight:	247.89
Molecular Formula:	C6H2Cl4O2
Canonical SMILES:	C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O
InChI:	InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChI Key:	RRBMVWQICIXSEO-UHFFFAOYSA-N
Boiling Point:	309.1 °C at 760 mmHg
Density:	1.848 g/cm³
Appearance:	Solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00002190
LogP:	3.71140

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2021032407-A1	Work time to walk-on time ratio by adding a phenolic catalyst to polyaspartic flooring formulations	20190731
EP-3699247-A1	Water-based extrusion primer for polyethylene	20190221
WO-2020169312-A1	Water-based extrusion primer for polyethylene	20190221
CN-109734896-B	Gemini type stable dispersant, synthesis and application thereof	20181226
CN-112703180-A	Amphiphilic mesogenic organic dyes for customized reflective low-dimensional materials	20180705

PMID	Publication Date	Title	Journal
23009027	20121015	Ruthenium(II) thiacrown complexes incorporating noninnocent redox active ligands: synthesis, electrochemical properties, and theoretical studies	Inorganic chemistry
21766098	20110828	Iron(III) complexes of N2O and N3O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity	Dalton transactions (Cambridge, England : 2003)
20452725	20100815	Degradation of pentachlorophenol in soil by pulsed corona discharge plasma	Journal of hazardous materials
20127076	20100501	Pentachlorophenol and its derivatives induce oxidative damage and morphological changes in human lymphocytes (in vitro)	Archives of toxicology
20218544	20100415	Evaluation of the potential of pentachlorophenol degradation in soil by pulsed corona discharge plasma from soil characteristics	Environmental science & technology

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.877940
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	245.880890
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3