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| CAS No.: | 474368-70-2 |
|---|---|
| Name: | 1-Hexylpyridinium tetrafluoroborate |
| Molecular Structure: | |
|
|
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| Formula: | C11H18BF4N |
| Molecular Weight: | 251.07 |
| Synonyms: | Pyridinium, 1-hexyl-, tetrafluoroborate(1-); |
| Density: | 1.1548 g/cm3(Temp: 25.00 °C) |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 3.88000 |
| LogP: | 3.85440 |
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Specification
The 1-Hexylpyridinium tetrafluoroborate, with the CAS registry number 474368-70-2, is also known as N-Hexylpyridinium tetrafluoroborate. It belongs to the product category of Ionic Liquid. This chemical's molecular formula is C11H18BF4N and molecular weight is 251.07. What's more, its systematic name is 1-Hexylpyridinium tetrafluoroborate. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 1-Hexylpyridinium tetrafluoroborate are: (1)ACD/LogP: -2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -2.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.88 Å2.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of 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.[n+]1(ccccc1)CCCCCC
(2) InChI: InChI=1/C11H18N.BF4/c1-2-3-4-6-9-12-10-7-5-8-11-12;2-1(3,4)5/h5,7-8,10-11H,2-4,6,9H2,1H3;/q+1;-1
(3) InChIKey: LTMWUXUUPSUBPP-UHFFFAOYAE