3,5-Di-tert-butyl-o-benzoquinone - CAS 3383-21-9

Name: 3,5-Di-tert-butyl-o-benzoquinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021847
Product Name:	3,5-Di-tert-butyl-o-benzoquinone
CAS:	3383-21-9
Synonyms:	3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione

Technical Data

IUPAC Name:	3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione
Description:	3,5-Di-tert-butyl-o-benzoquinone (CAS# 3383-21-9) is a Ortho-Quinone derivative is know to possess a number of biological properties such as antitumoral, antimicrobacterial and anti-cardiovascular disease.
Molecular Weight:	220.31
Molecular Formula:	C14H20O2
Canonical SMILES:	CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
InChI:	InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
InChI Key:	NOUZOVBGCDDMSX-UHFFFAOYSA-N
Boiling Point:	302.7 °C at 760 mmHg
Melting Point:	114-117 °C
Purity:	95 %
Density:	1.027 g/cm³
Appearance:	Dark red to black powder or crystals
MDL:	MFCD00001647
LogP:	3.08320

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

Publication Number	Title	Priority Date
EP-3875065-A1	Material for making ophthalmological implants by a photopolymerization method	20191230
WO-2021137714-A1	Material for making ophthalmological implants by a photopolymerization method	20191230
US-2021226263-A1	Cathode recycling of end-of-life lithium batteries	20191101
US-2021226273-A1	Methods for cathode recycling of end-of-life lithium batteries	20191101
WO-2021018237-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20190731

PMID	Publication Date	Title	Journal
24003018	20131001	Synthesis and characterization of novel organocobaloximes as potential catecholase and antimicrobial activity agents	Archiv der Pharmazie
22785616	20120814	Nonclassical oxygen atom transfer reactions of oxomolybdenum(VI) bis(catecholate)	Chemical communications (Cambridge, England)
22710924	20120807	UV-vis-NIR and EPR characterisation of the redox series [MQ(3)](2+,+,0,-,2-), M = Ru or Os, and Q = o-quinone derivative	Dalton transactions (Cambridge, England : 2003)
22301672	20120414	Reinvestigation of a former concerted proton-electron transfer (CPET), the reduction of a hydrogen-bonded complex between a proton donor and the anion radical of 3,5-di-tert-butyl-1,2-benzoquinone	Physical chemistry chemical physics : PCCP
22233278	20120220	Versatile chemical transformations of benzoxazole based ligands on complexation with 3d-metal ions	Inorganic chemistry

Complexity:	395
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.146329876
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.146329876
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3