Tetrabutylammonium Hexafluorophosphate

• CAS: 3109-63-5
• Catalog Number: ACM3109635
• Category: Ammonium Ionic Liquids
• Molecular Weight: 387.43
• Molecular Formula: C16H36F6NP
• Description: Tetrabutylammonium hexafluorophosphate can be used as a supporting electrolyte for the formation of cyclic disulfide moiety of 3,5-diimido-1,2-dithiolane derivatives by S-S coupling of dithioanilides
• Synonyms: Tetra-N-Butylammonium hexafluorophosphate
• IUPAC Name: tetrabutylazanium;hexafluorophosphate
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
• InChI: InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
• InChI Key: BKBKEFQIOUYLBC-UHFFFAOYSA-N
• Boiling Point: 242-246 °C
• Melting Point: 242-248 °C
• Solubility: soluble in Methanol
• Appearance: Powder
• Storage: Store under inert gas
• Chemical Formula: N4,4,4,4PF6
• Complexity: 179
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 221-472-6
• Exact Mass: 387.24895612
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 7
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
• MDL Number: MFCD00011748
• Monoisotopic Mass: 387.24895612
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.42
• Rotatable Bond Count: 12
• Signal Word: Warning
• Specific Gravity: 1.41
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 0 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of tetrabutylammonium hexafluorophosphate?

The molecular formula of tetrabutylammonium hexafluorophosphate is C16H36F6NP.

What is the molecular weight of tetrabutylammonium hexafluorophosphate?

The molecular weight of tetrabutylammonium hexafluorophosphate is 387.43 g/mol.

What are some synonyms for tetrabutylammonium hexafluorophosphate?

Some synonyms for tetrabutylammonium hexafluorophosphate are 3109-63-5, Tetrabutylammonium hexafluorophosphate(V), and tetra-n-butylammonium hexafluorophosphate.

What is the IUPAC name of tetrabutylammonium hexafluorophosphate?

The IUPAC name of tetrabutylammonium hexafluorophosphate is tetrabutylazanium;hexafluorophosphate.

What is the InChIKey of tetrabutylammonium hexafluorophosphate?

The InChIKey of tetrabutylammonium hexafluorophosphate is BKBKEFQIOUYLBC-UHFFFAOYSA-N.

What is the Canonical SMILES representation of tetrabutylammonium hexafluorophosphate?

The Canonical SMILES representation of tetrabutylammonium hexafluorophosphate is CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F.

How many hydrogen bond acceptors are there in tetrabutylammonium hexafluorophosphate?

There are 7 hydrogen bond acceptors in tetrabutylammonium hexafluorophosphate.

What is the topological polar surface area of tetrabutylammonium hexafluorophosphate?

The topological polar surface area of tetrabutylammonium hexafluorophosphate is 0-2.

How many rotatable bonds are there in tetrabutylammonium hexafluorophosphate?

There are 12 rotatable bonds in tetrabutylammonium hexafluorophosphate.

Is tetrabutylammonium hexafluorophosphate a canonicalized compound?

Yes, tetrabutylammonium hexafluorophosphate is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 1643-19-2

• 3109-63-5

Reference: [1] European Journal of Organic Chemistry, 2012, # 19, p. 3566 - 3569

Upstream Synthesis Route 2

• 1643-19-2

• 3109-63-5

Reference: [1]European Journal of Organic Chemistry,2012,p. 3566 - 3569

Downstream Synthesis Route 1

• 42576-02-3
• 3109-63-5

• 1836-75-5
• 6851-41-8
• 120-83-2

Reference: [1] Collection of Czechoslovak Chemical Communications, 2009, vol. 74, # 11-12, p. 1647 - 1664

Downstream Synthesis Route 2

• 42576-02-3
• 3109-63-5

• 1836-75-5
• 57729-01-8
• 120-83-2

Reference: [1] Collection of Czechoslovak Chemical Communications, 2009, vol. 74, # 11-12, p. 1647 - 1664

* For details of the synthesis route, please refer to the original source to ensure accuracy.