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Cas Database |
| Name |
2,4,6-Trifluoropyrimide |
EINECS | 211-801-1 |
| CAS No. | 696-82-2 | Density | 1.514 g/cm3 |
| PSA | 25.78000 | LogP | 0.89390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4HF3N2 | Boiling Point | 195.6 °C at 760 mmHg |
| Molecular Weight | 134.061 | Flash Point | 35.7 °C |
| Transport Information | 3265 | Appearance | N/A |
| Safety | 26-36/37/39-45 | Risk Codes | 34-37 |
| Molecular Structure |
|
Hazard Symbols |
 C, Xi
|
| Synonyms |
2,4,6-Trifluoropyrimidine; |
Article Data | 17 |
2,4,6-Trifluoropyrimide Synthetic route
| Conditions | Yield |
|---|---|
| With 1,8-bis(dimethylamino)naphthalene (hydrogen fluoride) In acetonitrile Ambient temperature; | 79% |
| With potassium fluoride; 18-crown-6 ether In sulfolane at 150℃; for 3.5h; | 56% |
| With tetrabutyl phosphonium hydrogen difluoride at 50℃; for 4h; | 85 % Chromat. |
- 3764-01-0
2,4,6-trichloropyrimidine
A
- 3833-57-6
2,4-dichloro-6-fluoropyrimidine
B
- 3824-45-1
2-fluoro-4,6-dichloropyrimidine
C
- 696-82-2
2,4,6-trifluoropyrimidine
| Conditions | Yield |
|---|---|
| With potassium fluoride at 300℃; for 2h; Product distribution; C4HCl3N2/KF = 4 x 10 E-2, other times, other temperatures, other molar ratios, other fluorinated products; | A n/a B n/a C 37% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 50 - 60℃; for 1h; | 95% |
- 5674-02-2
2-methylpropylmagnesium chloride
- 696-82-2
2,4,6-trifluoropyrimidine
- 1246034-33-2
2,4-difluoro-6-(2-methylpropyl)pyrimidine
| Conditions | Yield |
|---|---|
| iron(III)-acetylacetonate In tetrahydrofuran at -75 - -65℃; for 1.75h; Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 50 - 60℃; for 1h; | 90% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 50 - 60℃; for 1h; | 90% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 50 - 60℃; for 1h; | 90% |
| Conditions | Yield |
|---|---|
| In water; N,N-dimethyl-formamide at 50 - 60℃; for 1h; | 90% |
- 1603-79-8
phenylglyoxylic acid ethyl ester
- 120341-31-3
tert-butyldimethylsilyloxydiethyl phosphonic ester
- 696-82-2
2,4,6-trifluoropyrimidine
| Conditions | Yield |
|---|---|
| With 1-tert-butyl-2,2,4,4,4-pentakis(dimethylamino)-2Λ5,4Λ5-catenadi(phosphazene) In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 50 - 60℃; for 1h; | 85% |
2,4,6-Trifluoropyrimide Specification
The CAS register number of 2,4,6-Trifluoropyrimidine is 696-82-2. It also can be called as Pyrimidine,2,4,6-trifluoro- and the systematic name about this chemical is 2,4,6-trifluoropyrimidine. The molecular formula about this chemical is C4HF3N2 and the molecular weight is 134.06. It belongs to the Pyrimidine.
Physical properties about 2,4,6-Trifluoropyrimidine are: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/LogD (pH 7.4): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.15; (7)ACD/KOC (pH 7.4): 29.15; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78Å2; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 22.41 cm3; (12)Molar Volume: 88.5 cm3; (13)Polarizability: 8.88x10-24cm3; (14)Surface Tension: 36 dyne/cm; (15)Flash Point: 72.1 °C; (16)Enthalpy of Vaporization: 41.41 kJ/mol; (17)Boiling Point: 195.6 °C at 760 mmHg; (18)Vapour Pressure: 0.584 mmHg at 25°C.
Uses of 2,4,6-Trifluoropyrimidine: it can be used to produce 2,6-difluoro-3H-pyrimidin-4-one. The yield is about 20%.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns, it is irritating to respiratory system. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1nc(F)nc(F)c1
(2)InChI: InChI=1/C4HF3N2/c5-2-1-3(6)9-4(7)8-2/h1H
(3)InChIKey: NTSYSQNAPGMSIH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4HF3N2/c5-2-1-3(6)9-4(7)8-2/h1H
(5)Std. InChIKey: NTSYSQNAPGMSIH-UHFFFAOYSA-N
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