Tetra-n-octylammonium Bromide

• CAS: 14866-33-2
• Catalog Number: ACM14866332
• Category: Ammonium Ionic Liquids
• Molecular Weight: 546.81
• Molecular Formula: C32H68BrN
• Description: Tetraoctylammonium bromide is an organic surface coating agent commonly used to control the size and shape during nanoparticle synthesis
• Synonyms: I14-7120; tetra octyl ammonium bromide; CS-W019360; KSC491C0J; AK106154; SY010775; tetra-octylammonium bromide; CTK3J1104; RL01880; FT-0653960
• IUPAC Name: tetraoctylazanium;bromide
• SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
• InChI: 1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
• InChI Key: QBVXKDJEZKEASM-UHFFFAOYSA-M
• Melting Point: 97 °C
• Solubility: soluble in Methanol
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Complexity: 281
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 238-936-9
• Exact Mass: 545.454g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• Heavy Atom Count: 34
• MDL Number: MFCD00011863
• Monoisotopic Mass: 545.454g/mol
• 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: 1.43
• Rotatable Bond Count: 28
• Signal Word: Warning
• Specific Gravity: 1.32
• Topological Polar Surface Area: 0A^2
• UNII: 52QW29OWOC

Custom Q&A

What is the molecular formula of Tetra-n-octylammonium Bromide?

The molecular formula of Tetra-n-octylammonium Bromide is C32H68BrN.

What is the molecular weight of Tetra-n-octylammonium Bromide?

The molecular weight of Tetra-n-octylammonium Bromide is 546.8 g/mol.

What are some synonyms for Tetra-n-octylammonium Bromide?

Some synonyms for Tetra-n-octylammonium Bromide include Tetraoctylammonium bromide, tetra-N-Octylammonium bromide, and Tetraoctyl ammonium bromide.

When was Tetra-n-octylammonium Bromide created and modified in PubChem?

Tetra-n-octylammonium Bromide was created on 2005-07-19 and modified on 2023-12-23 in PubChem.

What is the InChIKey of Tetra-n-octylammonium Bromide?

The InChIKey of Tetra-n-octylammonium Bromide is QBVXKDJEZKEASM-UHFFFAOYSA-M.

What is the Canonical SMILES representation of Tetra-n-octylammonium Bromide?

The Canonical SMILES representation of Tetra-n-octylammonium Bromide is CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-].

How many hydrogen bond donor count does Tetra-n-octylammonium Bromide have?

Tetra-n-octylammonium Bromide has 0 hydrogen bond donor count.

What is the rotatable bond count of Tetra-n-octylammonium Bromide?

The rotatable bond count of Tetra-n-octylammonium Bromide is 28.

What is the topological polar surface area of Tetra-n-octylammonium Bromide?

The topological polar surface area of Tetra-n-octylammonium Bromide is 0-2.

How many covalently-bonded unit counts does Tetra-n-octylammonium Bromide have?

Tetra-n-octylammonium Bromide has 2 covalently-bonded unit counts.

Synthetic Use

Upstream Synthesis Route 1

• 1392488-23-1
• 100-39-0

• 946-80-5
• 14866-33-2
• 108-95-2

Reference: [1] Journal of the American Chemical Society, 2012, vol. 134, # 32, p. 13415 - 13429

Upstream Synthesis Route 2

• 67-56-1

• 14866-33-2

Reference: [1] Acta Chemica Scandinavica, 1997, vol. 51, # 3, p. 270 - 273

Downstream Synthesis Route 1

• 68119-31-3
• 14866-33-2
• 107-04-0

• 862574-87-6

Reference: [1] Patent: US9241934, 2016, B2,

Downstream Synthesis Route 2

• 16156-52-8
• 14866-33-2

• 111-83-1
• 70098-05-4

Reference: [1]Journal of Organic Chemistry,1985,vol. 50,p. 117 - 118
[2]Tetrahedron,2008,vol. 64,p. 1689 - 1695

Downstream Synthesis Route 3

• 1912-31-8
• 14866-33-2

• 106-94-5
• 70098-05-4

Reference: [1]Synthetic Communications,1987,vol. 17,p. 521 - 534

Downstream Synthesis Route 4

• 333-20-0
• 14866-33-2

• 66091-57-4

Reference: [1]Synthesis,1985,p. 508 - 509

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