Tetrafluoro-1,4-benzoquinone - CAS 527-21-9

Catalog:	BB027919
Product Name:	Tetrafluoro-1,4-benzoquinone
CAS:	527-21-9
Synonyms:	2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione
Description:	Tetrafluoro-1,4-benzoquinone (CAS# 527-21-9) is a useful research chemical.
Molecular Weight:	180.06
Molecular Formula:	C6F4O2
Canonical SMILES:	C1(=C(C(=O)C(=C(C1=O)F)F)F)F
InChI:	InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChI Key:	JKLYZOGJWVAIQS-UHFFFAOYSA-N
Boiling Point:	133.1 °C at 760 mmHg
Melting Point:	300 °C
Purity:	> 98.0 % (T) (HPLC)
Density:	1.62 g/cm³
Appearance:	Light yellow to brown powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00001592
LogP:	1.43940

Publication Number	Title	Priority Date
CN-113048846-A	Application of TMPD-TXBQ eutectic material in laser ignition	20210312
WO-2021166702-A1	Method for producing aldehyde compound or derivative thereof	20200217
WO-2021132640-A1	Method for stabilizing perfluorodioxolane compound, composition including perfluorodioxolane compound, and method for manufacturing perfluorodioxolane compound polymer	20191226
CN-113087600-A	Synthesis method of 1, 4-dimethoxy tetrafluorobenzene	20191223
WO-2021130057-A1	Dehydrogenation process	20191223

PMID	Publication Date	Title	Journal
21300564	20110401	Spectrophotometric and fluorescence quenching studies of the charge transfer complexation of (4-dimethylamino-benzylidene)-(4,6-dimethyl-pyrimidin-2-yl)-amine with some organic acceptors	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
20496056	20100701	Detection and mechanistic investigation of halogenated benzoquinone induced DNA damage by photoelectrochemical DNA sensor	Analytical and bioanalytical chemistry
19928783	20091218	Spin-carrying benzoquinone derivatives	The Journal of organic chemistry
19473021	20090625	Influence of solvent on photoinduced electron-transfer reaction: time-resolved resonance Raman study	The journal of physical chemistry. A
17716903	20070925	Bioluminescent monitoring of detoxification processes: activity of humic substances in quinone solutions	Journal of photochemistry and photobiology. B, Biology

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Signal Word:	Warning

Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.98344189
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.98344189
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3