N-octylpyridinium tetrafluoroborate

• CAS: 244193-52-0
• Catalog Number: ACM244193520
• Category: Pyridinium Ionic Liquids
• Molecular Weight: 282.13
• Molecular Formula: C13H22NBF4
• Abbreviation: OpyBF4
• Chemical Formula: [Opy]BF4

Custom Q&A

What is the molecular formula of N-octylpyridinium tetrafluoroborate?

The molecular formula of N-octylpyridinium tetrafluoroborate is C13H22BF4N.

What is the molecular weight of N-octylpyridinium tetrafluoroborate?

The molecular weight of N-octylpyridinium tetrafluoroborate is 279.13 g/mol.

What is the IUPAC name of N-octylpyridinium tetrafluoroborate?

The IUPAC name of N-octylpyridinium tetrafluoroborate is 1-octylpyridin-1-ium;tetrafluoroborate.

What is the InChI of N-octylpyridinium tetrafluoroborate?

The InChI of N-octylpyridinium tetrafluoroborate is InChI=1S/C13H22N.BF4/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;2-1(3,4)5/h7,9-10,12-13H,2-6,8,11H2,1H3;/q+1;-1.

What is the InChIKey of N-octylpyridinium tetrafluoroborate?

The InChIKey of N-octylpyridinium tetrafluoroborate is POTWYFVQBFBYGV-UHFFFAOYSA-N.

What is the canonical SMILES of N-octylpyridinium tetrafluoroborate?

The canonical SMILES of N-octylpyridinium tetrafluoroborate is [B-](F)(F)(F)F.CCCCCCCC[N+]1=CC=CC=C1.

What is the hydrogen bond donor count of N-octylpyridinium tetrafluoroborate?

The hydrogen bond donor count of N-octylpyridinium tetrafluoroborate is 0.

What is the hydrogen bond acceptor count of N-octylpyridinium tetrafluoroborate?

The hydrogen bond acceptor count of N-octylpyridinium tetrafluoroborate is 5.

What is the rotatable bond count of N-octylpyridinium tetrafluoroborate?

The rotatable bond count of N-octylpyridinium tetrafluoroborate is 7.

Is N-octylpyridinium tetrafluoroborate a canonicalized compound?

Yes, N-octylpyridinium tetrafluoroborate is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 64697-40-1

• 244193-52-0

Reference: [1]Green Chemistry,2013,vol. 15,p. 1341 - 1347
[2]Tetrahedron Letters,2002,vol. 43,p. 5381 - 5383
[3]Journal of the Chemical Society, Dalton Transactions,1999,p. 2133 - 2139
[4]Synthesis,2006,p. 2543 - 2550
[5]Journal of Chemical and Engineering Data,2010,vol. 55,p. 1768 - 1773

Upstream Synthesis Route 2

• 616-47-7
• 111-83-1

• 244193-52-0

Reference: [1]Cravotto, Giancarlo; Boffa, Luisa; L'Eveque, Jean-Marc; Estager, Julien; Draye, Micheline; Bonrath, Werner
[Australian Journal of Chemistry, 2007, vol. 60, # 12, p. 946 - 950]
[2]Xu, Dan-Qian; Liu, Bao-You; Luo, Shu-Ping; Xu, Zhen-Yuan; Shen, Yin-Chu
[Synthesis, 2003, # 17, p. 2626 - 2628]
[3]Estager, Julien; Lévêque, Jean-Marc; Cravotto, Giancarlo; Boffa, Luisa; Bonrath, Werner; Draye, Micheline
[Synlett, 2007, # 13, p. 2065 - 2068]
[4]Arce, Alberto; Rodil, Eva; Soto, Ana
[Journal of Solution Chemistry, 2006, vol. 35, # 1, p. 63 - 78]