Product Name

  • Name

    Tetrafluorobenzene-1,2-diol

  • EINECS
  • CAS No. 1996-23-2
  • Article Data4
  • CAS DataBase
  • Density 1.719 g/cm3
  • Solubility
  • Melting Point 68-69 °C
  • Formula C6H2F4O2
  • Boiling Point 187.3 °C at 760 mmHg
  • Molecular Weight 182.074
  • Flash Point 67.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 1996-23-2 (Tetrafluorobenzene-1,2-diol)
  • Hazard Symbols IrritantXi
  • Synonyms Pyrocatechol,tetrafluoro- (7CI,8CI);1,2-Dihydroxytetrafluorobenzene;3,4,5,6-Tetrafluoro-1,2-benzenediol;3,4,5,6-Tetrafluorocatechol;3,4,5,6-Tetrafluoropyrocatechol;Tetrafluorocatechol;Tetrafluoropyrocatechol;
  • PSA 40.46000
  • LogP 1.65420

Synthetic route

pyridine
110-86-1

pyridine

Hexafluorobenzene
392-56-3

Hexafluorobenzene

ethanol
64-17-5

ethanol

potassium hydroxide

potassium hydroxide

A

2,3,4,5,6-pentafluorophenol
771-61-9

2,3,4,5,6-pentafluorophenol

B

ethoxy pentafluorobenzene
776-39-6

ethoxy pentafluorobenzene

C

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

D

1,4,5,6-Tetrafluor-2,3-diethoxy-benzol
16250-99-0

1,4,5,6-Tetrafluor-2,3-diethoxy-benzol

...Expand
tetrahydrofuran
109-99-9

tetrahydrofuran

tetrafluoro-1,2-benzoquinone
1423-12-7

tetrafluoro-1,2-benzoquinone

A

2,3,4,5-tetrafluoro-6-((tetrahydrofuran-2-yl)oxy)phenol
1374518-12-3

2,3,4,5-tetrafluoro-6-((tetrahydrofuran-2-yl)oxy)phenol

B

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

Conditions
ConditionsYield
for 0.5h; Irradiation;
...Expand
diethyl ether
60-29-7

diethyl ether

tetrafluoro-1,2-benzoquinone
1423-12-7

tetrafluoro-1,2-benzoquinone

A

2-(1-ethoxyethoxy)-3,4,5,6-tetrafluorophenol
1374518-16-7

2-(1-ethoxyethoxy)-3,4,5,6-tetrafluorophenol

B

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

Conditions
ConditionsYield
for 0.5h; Irradiation;
...Expand
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

pentafluorophenylboronic acid
1582-24-7

pentafluorophenylboronic acid

2-(pentafluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole
365458-36-2

2-(pentafluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In toluene byproducts: water; mixt. heated to reflux; water removed by azeotropic distillation; after 4 h solvent evapd. under reduced pressure; residue sublimed at 110°C/0.1 mm Hg;87%
In toluene under N2; C6F4(OH)2 and C6F5B(OH)2 in toluene heated to reflux for 12 h using Dean-Stark apparatus; volatiles removed under reduced pressure; sublimed at 80°C; takenup in pentane; filtered; cryst. at -35°C; elem. anal.;42%
In toluene byproducts: H2O; (Ar or under vac.); mixed in toluene; heated to reflux; water removed byazeotropic distillation; after 4 h, solvent evapd. under reduced pressu re; sublimed at 110°C;
C37H42N2O3Ru

C37H42N2O3Ru

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C37H38F4N2O3Ru

C37H38F4N2O3Ru

Conditions
ConditionsYield
In tetrahydrofuran at 22℃; for 0.5h; Inert atmosphere;80%
tetrahydrofuran
109-99-9

tetrahydrofuran

tetraacetatodiruthenium chloride

tetraacetatodiruthenium chloride

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

sodium hydroxide
1310-73-2

sodium hydroxide

[Na3(Ru2(tetrafluorocatecholato)4)]*2tetrahydrofuran*2H2O

[Na3(Ru2(tetrafluorocatecholato)4)]*2tetrahydrofuran*2H2O

Conditions
ConditionsYield
In tetrahydrofuran byproducts: NaOCOCH3, NaCl, H2O; (N2); stirring a suspn. of ruthenium complex, ligand, NaOH in THF for 1 d at room temp.; drying in vac., extn. with THF, slow diffusion of hexane; elem. anal.;72%
...Expand
tripropyl arsenite
15606-91-4

tripropyl arsenite

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

2-oxabis(4,5,6,7-tetrafluorobenzo-1,3,2-dioxaarsole)

2-oxabis(4,5,6,7-tetrafluorobenzo-1,3,2-dioxaarsole)

Conditions
ConditionsYield
at 150 - 160℃; for 2h;64.8%
chromium chloride hexahydrate

chromium chloride hexahydrate

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

triethylamine
121-44-8

triethylamine

(triethylammonium)3[Cr(perfluorocatecholato)3]

(triethylammonium)3[Cr(perfluorocatecholato)3]

Conditions
ConditionsYield
In methanol for 12h; Inert atmosphere; Schlenk technique;60%
...Expand
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

diethylamine
109-89-7

diethylamine

C12AsF8O4(1-)*C4H11N*H(1+)

C12AsF8O4(1-)*C4H11N*H(1+)

Conditions
ConditionsYield
With arsenic trichloride In diethyl ether for 2h; Ambient temperature;59%
tetrachlorosilane
10026-04-7, 53609-55-5

tetrachlorosilane

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

bis(perfluorocatecholato)silane

bis(perfluorocatecholato)silane

Conditions
ConditionsYield
In acetonitrile at 0 - 25℃; for 20h;53%
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

lithium tetramethanolatoborate
6867-35-2

lithium tetramethanolatoborate

lithium bis[3,4,5,6-tetrafluoro-1,2-benzenediolato(2-)-O,O'] borate

lithium bis[3,4,5,6-tetrafluoro-1,2-benzenediolato(2-)-O,O'] borate

Conditions
ConditionsYield
In acetonitrile (Ar); heating (50°C); crystn. (5°C, 3 d), recrystn. (benzene/MeCN), washing (benzene);30.8%
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

2,4-difluorophenylboronic acid
144025-03-6

2,4-difluorophenylboronic acid

2-(2,4-difluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole
365458-35-1

2-(2,4-difluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In toluene byproducts: H2O; (Ar or under vac.); mixed in toluene; heated to reflux; water removed byazeotropic distillation; after 4 h, solvent evapd. under reduced pressu re; sublimed at 125°C;
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

2-(trifluoromethyl)phenylboronic acid
1423-27-4

2-(trifluoromethyl)phenylboronic acid

2-(2-trifluoromethyl phenyl)-tetrafluoro-1,3,2-benzodioxaborole
365458-37-3

2-(2-trifluoromethyl phenyl)-tetrafluoro-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In toluene byproducts: H2O; (Ar or under vac.); mixed in toluene; heated to reflux; water removed byazeotropic distillation; after 4 h, solvent evapd. under reduced pressu re; sublimed at 110°C;
(2,5-di(trifluoromethyl)phenyl)boronic acid
196083-18-8

(2,5-di(trifluoromethyl)phenyl)boronic acid

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

2,5-bis(trifluoromethyl)phenyl-tetrafluoro-1,3,2-benzodioxaborole
365458-38-4

2,5-bis(trifluoromethyl)phenyl-tetrafluoro-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In toluene byproducts: H2O; (Ar or under vac.); mixed in toluene; heated to reflux; water removed byazeotropic distillation; after 4 h, solvent evapd. under reduced pressu re; sublimed at 105-110°C;
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

4-fluoroboronic acid
1765-93-1

4-fluoroboronic acid

2-(4-fluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole
365458-34-0

2-(4-fluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In toluene byproducts: H2O; (Ar or under vac.); mixed in toluene; heated to reflux; water removed byazeotropic distillation; after 4 h, solvent evapd. under reduced pressu re; sublimed at 135°C;
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

ethyl 4,5,6,7-tetrafluorobenzo[d]-1,3-dioxole-2-carboxylate
1353670-84-4

ethyl 4,5,6,7-tetrafluorobenzo[d]-1,3-dioxole-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid / nitromethane / -30 °C
2: benzene / 8 h / Reflux
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

2,3,4,5-tetrafluoro-6-(1-hexyl-1H-indol-3-yl)-6-hydroxycyclohexa-2,4-dienone
1353670-86-6

2,3,4,5-tetrafluoro-6-(1-hexyl-1H-indol-3-yl)-6-hydroxycyclohexa-2,4-dienone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid / nitromethane / -30 °C
2: benzene / 0.17 h / 20 °C
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

2,3,4,5-tetrafluoro-6-hydroxy-6-(1-methyl-1H-pyrrol-2-yl)-cyclohexa-2,4-dienone
1353670-90-2

2,3,4,5-tetrafluoro-6-hydroxy-6-(1-methyl-1H-pyrrol-2-yl)-cyclohexa-2,4-dienone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid / nitromethane / -30 °C
2: chloroform-d1 / 0.03 h / 20 °C
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C7H4F4O3
1353670-93-5

C7H4F4O3

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid / nitromethane / -30 °C
2: chloroform-d1 / 0 °C
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C8H7F3O4
1353670-95-7

C8H7F3O4

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: nitric acid / nitromethane / -30 °C
2: chloroform-d1 / 0 °C
3: chloroform-d1 / 0 - 20 °C
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C6F4O2*C12H18
1353671-02-9

C6F4O2*C12H18

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid / nitromethane / -30 °C
2: chloroform / 1 h
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

tetrafluoro-1,2-benzoquinone
1423-12-7

tetrafluoro-1,2-benzoquinone

Conditions
ConditionsYield
With nitric acid In nitromethane at -30℃;
C14H6Cl2F4N6O4

C14H6Cl2F4N6O4

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C20H6F8N6O6
1451257-93-4

C20H6F8N6O6

Conditions
ConditionsYield
With potassium carbonate In water; acetone for 3h; Solvent; Time; Reflux; Inert atmosphere;1.36 g
C16H12Cl2F4N8O2

C16H12Cl2F4N8O2

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C22H12F8N8O4
1451257-94-5

C22H12F8N8O4

Conditions
ConditionsYield
With caesium carbonate In water; acetone for 40h; Reflux;0.181 g
2,4-Dichloro-6-methoxy-1,3,5-triazine
3638-04-8

2,4-Dichloro-6-methoxy-1,3,5-triazine

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C14H6Cl2F4N6O4

C14H6Cl2F4N6O4

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; for 1h; Inert atmosphere;
2-dimethylamino-4,6-dichloro-1,3,5-triazine
2401-64-1

2-dimethylamino-4,6-dichloro-1,3,5-triazine

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C16H12Cl2F4N8O2

C16H12Cl2F4N8O2

Conditions
ConditionsYield
With caesium carbonate In acetone at 30℃; for 8h; Inert atmosphere;
2-dimethylamino-4,6-dichloro-1,3,5-triazine
2401-64-1

2-dimethylamino-4,6-dichloro-1,3,5-triazine

3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C22H12F8N8O4
1451257-94-5

C22H12F8N8O4

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: caesium carbonate / acetone / 8 h / 30 °C / Inert atmosphere
2: caesium carbonate / acetone; water / 40 h / Reflux
View Scheme
3,4,5,6-tetrafluorobenzene-1,2-diol
1996-23-2

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

C36H63O3PRu

C36H63O3PRu

C34H45F4O3PRu

C34H45F4O3PRu

Conditions
ConditionsYield
In dichloromethane for 0.5h; Inert atmosphere;

Tetrafluorobenzene-1,2-diol Specification

The Tetrafluorobenzene-1,2-diol, with the CAS registry number 1996-23-2, is also known as Perfluorobenzene-1,2-diol. This chemical's molecular formula is C6H2F4O2 and molecular weight is 182.07. What's more, both its IUPAC name and systematic name are the same which is called 3,4,5,6-Tetrafluorobenzene-1,2-diol.

Physical properties about Tetrafluorobenzene-1,2-diol are: (1) ACD/LogP: 3.37; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.3; (4) ACD/LogD (pH 7.4): 2.23; (5) ACD/BCF (pH 5.5): 184.43; (6) ACD/BCF (pH 7.4): 15.42; (7) ACD/KOC (pH 5.5): 1395.87; (8) ACD/KOC (pH 7.4): 116.73; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 18.46 Å2; (13) Index of Refraction: 1.493; (14) Molar Refractivity: 29.99 cm3; (15) Molar Volume: 103.1 cm3; (16) Surface Tension: 44.1 dyne/cm; (17) Density: 1.765 g/cm3; (18) Flash Point: 101.1 °C; (19) Enthalpy of Vaporization: 50.01 kJ/mol; (20) Boiling Point: 243.6 °C at 760 mmHg; (21) Vapour Pressure: 0.0204 mmHg at 25 °C; (22) Melting Point: 68-69 °C.

Uses of Tetrafluorobenzene-1,2-diol: it is used to produce other chemicals. For example, it is used to produce 2-Oxabis(4,5,6,7-tetrafluorobenzo-1,3,2-dioxaarsole). This reaction will occur at temperature of 150-160 °C for 2 hours. The yield is 64.8 %.



When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)c(F)c(F)c(O)c1O
(2) InChI: InChI=1/C6H2F4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
(3) InChIKey: AQSZAISVBFUJQG-UHFFFAOYAO

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