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CAS No.: | 125700-71-2 |
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Name: | 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate |
Molecular Structure: | |
Formula: | C10H16N3O2.BF4 |
Molecular Weight: | 297.06 |
Synonyms: | O-(2-Oxo-1(2H)pyridyl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate;TPTU;TPTU [O-(1,2-dihydro-2-oxo-pyridyl)-1,1,3,3-tetramethyluronium tetrafluoroborate; |
Melting Point: | 140 °C (dec.)(lit.) |
Solubility: | Insoluble in water |
Appearance: | white crystalline powder |
Hazard Symbols: | Xn; Xi |
Risk Codes: | 37-36/37/38-20/21/22 |
Safety: | 36/37/39-26 |
PSA: | 37.48000 |
LogP: | 0.76660 |
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The 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate, with CAS registry number 125700-71-2, has the systematic name of N-{(dimethylamino)[(2-oxopyridin-1(2H)-yl)oxy]methylidene}-N-methylmethanaminium tetrafluoroborate. This chemical is a kind of white crystalline powder. And it should be stored at the temperature of 2-8°C. What's more, the chemical formula of this chemical is C10H16N3O2.BF4.
Physical properties of 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 35.79 Å2.
When you are using this chemical, please be cautious about it as the following:
The 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate irritates to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: F[B-](F)(F)F.O=C1/C=C\C=C/N1O/C(N(C)C)=[N+](\C)C
(2)InChI: InChI=1/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
(3)InChIKey: CZQGINAUZYECAI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
(5)Std. InChIKey: CZQGINAUZYECAI-UHFFFAOYSA-N