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Tetrafluorohydroquinone

Tetrafluorohydroquinone

Name: Tetrafluorohydroquinone
Brand: BOC Sciences
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Molecular Formula:

C6H2F4O2

Molecular Weight:

182.07

CAS Number:

771-63-1

Catalog Number:

771-63-1

Product Information

Molecular Formula:

C6H2F4O2

Molecular Weight:

182.07

Description

Tetrafluorohydroquinone is a ubiquitous chemical compound extensively employed in the realm of biomedicine. It assumes a paramount position in the drug development of a myriad of afflictions, encompassing cancer and neurological disorders. By virtue of its formidable attributes as an antioxidant, this potent compound actively facilitates the generation of reactive oxygen species, thereby contributing significantly to the annihilation of malignant cells.

Synonyms

2,3,5,6-Tetrafluorobenzene-1,4-diol,2,3,5,6-Tetrafluorohydroquinone,Tetrafluoro-1,4-dihydroquinone

IUPAC Name

2,3,5,6-tetrafluorobenzene-1,4-diol

Canonical SMILES

C1(=C(C(=C(C(=C1F)F)O)F)F)O

InChI

InChI=1S/C6H2F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

InChI Key

ZSDAMBJDFDRLSS-UHFFFAOYSA-N

Boiling Point

205.5°C at 760 mmHg

Melting Point

172-174°C(lit.)

Flash Point

78°C

Purity

95%

Density

1.765 g/cm3

Appearance

SLIGHTLY BEIGE CRYSTALLINE POWDER

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

181.99909195 g/mol

Monoisotopic Mass

181.99909195 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

134

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113831523-A	Low dielectric constant and low dielectric loss liquid crystal polyarylester and composition and film thereof	2021-11-02
CN-113234193-A	Self-supporting liquid crystal film and preparation method thereof	2021-05-20
CN-112375010-A	Novel diamine, polyimide and polyimide film	2020-09-27
CN-111825525-A	Preparation method of tetrafluoro-p-phenylene glycol capable of reducing waste emission	2020-08-18
WO-2022024073-A1	Glass containing flame retardant polycarbonate compositions	2020-07-30
WO-2022000270-A1	Thermoplastic compositions with improved hydrolytic and heat stability	2020-06-30
WO-2022003594-A1	Chemically-resistant flame retardant compositions	2020-06-30
WO-2022003600-A1	Scratch-resistant high impact strength pmma compositions	2020-06-30
JP-2022008153-A	Method for Producing Carboxylate, Carboxylic Acid Generator, Resist Composition and Resist Pattern	2020-06-25
US-2021403708-A1	Fiber-Reinforced Polymer Composition	2020-06-25

Literatures

PMID	Publication Date	Title	Journal
20603565	2010-07-01	Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds	Acta crystallographica. Section C, Crystal structure communications
17665374	2007-01-01	Selective inclusion of electron-donating molecules into porphyrin nanochannels derived from the self-assembly of saddle-distorted, protonated porphyrins and photoinduced electron transfer from guest molecules to porphyrin dications	Chemistry (Weinheim an der Bergstrasse, Germany)