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| Name |
3,4,5,6-Tetrafluorophthalonitrile |
EINECS | 217-400-8 |
| CAS No. | 1835-65-0 | Density | 1.54 g/cm3 |
| PSA | 47.58000 | LogP | 1.98636 |
| Solubility | N/A | Melting Point |
81-86 °C(lit.) |
| Formula | C8F4N2 | Boiling Point | 274.2 °C at 760 mmHg |
| Molecular Weight | 200.095 | Flash Point | 119.6 °C |
| Transport Information | UN 3439 | Appearance | WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS |
| Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Phthalonitrile,tetrafluoro- (7CI,8CI);1,2-Dicyano-3,4,5,6-tetrafluorobenzene;1,2-Dicyanotetrafluorobenzene;3,4,5,6-Tetrafluoro-1,2-dicyanobenzene;3,4,5,6-Tetrafluorophthalodinitrile;Perfluorophthalonitrile;Tetrafluorophthalonitrile; |
3,4,5,6-Tetrafluorophthalonitrile Synthetic route
| Conditions | Yield |
|---|---|
| With potassium fluoride In benzonitrile at 260℃; for 18h; | A 18.3% B 75.8% |
| Conditions | Yield |
|---|---|
| With potassium fluoride In water | 74% |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide heating to 130-160°C, 0.5-1 h; | 70% |
| In dimethyl sulfoxide heating to 130-160°C, 0.5-1 h; | 70% |
- 827-08-7
1,2-dibromo-3,4,5,6-tetrafluorobenzene
- 544-92-3
copper(I) cyanide
- 1835-65-0
Tetrafluorophthalonitrile
| Conditions | Yield |
|---|---|
| at 160 - 170℃; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 270℃; for 16h; |
| Conditions | Yield |
|---|---|
| With potassium fluoride In N,N-dimethyl-formamide at 110℃; for 7h; Temperature; Concentration; |
- 1835-65-0
Tetrafluorophthalonitrile
- 34251-54-2
4-Methoxy-3,5,6-trifluorphthalonitril
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at -5 to 0°C; | 98% |
| With KOH In methanol at -5 to 0°C; | 98% |
- 1835-65-0
Tetrafluorophthalonitrile
- 25693-94-1
4-amino-3,5,6-trifluoro-1,2-phenylene dicyanide
| Conditions | Yield |
|---|---|
| With ammonium hydroxide | 98% |
| With NH4OH | 98% |
| With ammonium hydroxide In 1,4-dioxane for 2h; Reflux; | 81% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 80℃; for 3h; | 98% |
3,4,5,6-Tetrafluorophthalonitrile Specification
The 3,4,5,6-Tetrafluorophthalonitrile, with the CAS registry number 1835-65-0, is also known as 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-. It belongs to the product categories of Pharmacetical; Functional Materials; Phthalonitriles & Naphthalonitriles; Phthalonitriles (Building Blocks for Phthalocyanines). Its EINECS registry number is 217-400-8. This chemical's molecular formula is C8F4N2 and molecular weight is 200.09. Its IUPAC name is called 3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile. This chemical is white to tan powder, crystals, crystalline powder and/or chunks.
Physical properties of 3,4,5,6-Tetrafluorophthalonitrile: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.88; (8)ACD/KOC (pH 7.4): 17.88; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 36.33 cm3; (12)Molar Volume: 129.2 cm3; (13)Surface Tension: 42.5 dyne/cm; (14)Density: 1.54 g/cm3; (15)Melting Point: 81-86 °C(lit.); (16)Flash Point: 119.6 °C; (17)Enthalpy of Vaporization: 51.25 kJ/mol; (18)Boiling Point: 274.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00549 mmHg at 25°C.
Uses of 3,4,5,6-Tetrafluorophthalonitrile: it can be used to produce 3,4,5,6-tetrakis-hexyloxy-phthalonitrile at temperature of 100 °C. This reaction is will need reagent K2CO3 and solvent dimethylformamide with reaction time of 24 hours. The yield is about 64%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)C#N
(2)InChI: InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
(3)InChIKey: OFLRJMBSWDXSPG-UHFFFAOYSA-N
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