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Cas Database |
| Name |
Tetrafluorobenzene-1,2-diol |
EINECS | N/A |
| CAS No. | 1996-23-2 | Density | 1.719 g/cm3 |
| PSA | 40.46000 | LogP | 1.65420 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 4 |
Tetrafluorobenzene-1,2-diol Synthetic route
- 110-86-1
pyridine
- 392-56-3
Hexafluorobenzene
- 64-17-5
ethanol
A
- 771-61-9
2,3,4,5,6-pentafluorophenol
B
- 776-39-6
ethoxy pentafluorobenzene
C
- 1996-23-2
3,4,5,6-tetrafluorobenzene-1,2-diol
D
- 16250-99-0
1,4,5,6-Tetrafluor-2,3-diethoxy-benzol
- 109-99-9
tetrahydrofuran
- 1423-12-7
tetrafluoro-1,2-benzoquinone
A
- 1374518-12-3
2,3,4,5-tetrafluoro-6-((tetrahydrofuran-2-yl)oxy)phenol
B
- 1996-23-2
3,4,5,6-tetrafluorobenzene-1,2-diol
| Conditions | Yield |
|---|---|
| for 0.5h; Irradiation; |
- 60-29-7
diethyl ether
- 1423-12-7
tetrafluoro-1,2-benzoquinone
A
- 1374518-16-7
2-(1-ethoxyethoxy)-3,4,5,6-tetrafluorophenol
B
- 1996-23-2
3,4,5,6-tetrafluorobenzene-1,2-diol
| Conditions | Yield |
|---|---|
| for 0.5h; Irradiation; |
- 1996-23-2
3,4,5,6-tetrafluorobenzene-1,2-diol
- 1582-24-7
pentafluorophenylboronic acid
- 365458-36-2
2-(pentafluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 22℃; for 0.5h; Inert atmosphere; | 80% |
| Conditions | Yield |
|---|---|
| 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% |
- 15606-91-4
tripropyl arsenite
- 1996-23-2
3,4,5,6-tetrafluorobenzene-1,2-diol
| Conditions | Yield |
|---|---|
| at 150 - 160℃; for 2h; | 64.8% |
| Conditions | Yield |
|---|---|
| In methanol for 12h; Inert atmosphere; Schlenk technique; | 60% |
| Conditions | Yield |
|---|---|
| With arsenic trichloride In diethyl ether for 2h; Ambient temperature; | 59% |
- 10026-04-7, 53609-55-5
tetrachlorosilane
- 1996-23-2
3,4,5,6-tetrafluorobenzene-1,2-diol
| Conditions | Yield |
|---|---|
| In acetonitrile at 0 - 25℃; for 20h; | 53% |
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 %.
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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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