Tetrabutylammonium Iodide

• CAS: 311-28-4
• Catalog Number: ACM311284
• Category: Ammonium Ionic Liquids
• Molecular Weight: 369.38
• Molecular Formula: C16H36IN
• Description: Tetrabutylammonium Iodide is one of numerous perovskite precursor materials
• Synonyms: TBAI, Tetrabutyl ammonium iodide, Tetra-n-butylammonium iodide, Tetrabutylazanium iodide, N,N,N-Tributyl-1-butanaminium iodide
• IUPAC Name: tetrabutylazanium;iodide
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[I-]
• InChI: InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChI Key: DPKBAXPHAYBPRL-UHFFFAOYSA-M
• Melting Point: 147 °C
• Solubility: soluble in Alcohol,Ether
• Appearance: White to Almost white powder to crystaline
• Application: Tetrabutylammonium iodide is used in the preparation of novel quaternary amines to serve as antibacterial agents in the rise of drug-resistant bacteria,it is also used in phosphonium reversible inhibitors of cholinesterases.
• Storage: Store under inert gas
• Active Content: 95%
• Complexity: 116
• Condition To Avoid: Light Sensitive,Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 206-220-5
• Exact Mass: 369.18925g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H4335
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 18
• MDL Number: MFCD00011636
• Monoisotopic Mass: 369.18925g/mol
• NSC Number: 10414
• Physical State: White crystal
• Precautionary Statements: P261-P280-P304+P340+P312-P305+P351+P338-P337+P313
• Rotatable Bond Count: 12
• Signal Word: Warning
• Specific Gravity: 1.43
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Tetrabutylammonium Iodide?

The molecular formula of Tetrabutylammonium Iodide is C16H36IN.

What is the molecular weight of Tetrabutylammonium Iodide?

The molecular weight of Tetrabutylammonium Iodide is 369.37 g/mol.

What is the IUPAC name of Tetrabutylammonium Iodide?

The IUPAC name of Tetrabutylammonium Iodide is tetrabutylazanium; iodide.

What is the InChI of Tetrabutylammonium Iodide?

The InChI of Tetrabutylammonium Iodide is InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1.

What is the InChIKey of Tetrabutylammonium Iodide?

The InChIKey of Tetrabutylammonium Iodide is DPKBAXPHAYBPRL-UHFFFAOYSA-M.

What is the canonical SMILES of Tetrabutylammonium Iodide?

The canonical SMILES of Tetrabutylammonium Iodide is CCCC[N+](CCCC)(CCCC)CCCC.[I-].

What is the CAS number of Tetrabutylammonium Iodide?

The CAS number of Tetrabutylammonium Iodide is 311-28-4.

How many hydrogen bond donor counts does Tetrabutylammonium Iodide have?

Tetrabutylammonium Iodide has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Tetrabutylammonium Iodide have?

Tetrabutylammonium Iodide has 1 hydrogen bond acceptor count.

How many hydrogen bond donor count does Tetrabutylammonium Iodide have?

Tetrabutylammonium Iodide has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does Tetrabutylammonium Iodide have?

Tetrabutylammonium Iodide has 1 hydrogen bond acceptor count.

Synthetic Use

Downstream Synthesis Route 1

• 110-85-0
• 39856-50-3
• 24424-99-5
• 311-28-4

• 571189-16-7

Reference: [1] Patent: US2003/149001, 2003, A1,

Downstream Synthesis Route 2

• 311-28-4
• 110-17-8

• 2915-53-9

Reference: [1] Patent: US4434091, 1984, A,

Downstream Synthesis Route 3

• 311-28-4

• 2052-49-5

Reference: [1] Collection of Czechoslovak Chemical Communications, 1988, vol. 53, # 12, p. 3164 - 3170
[2] Bulletin of the Chemical Society of Japan, 1986, vol. 59, # 3, p. 833 - 838
[3] Journal of the American Chemical Society, 2011, vol. 133, # 7, p. 2116 - 2119
[4] Chemistry of Natural Compounds, 2012, vol. 48, # 2, p. 189 - 193

Downstream Synthesis Route 4

• 311-28-4

• 13311-45-0

Reference: [1]Kostina,V.G.; Feshchenko,N.G.
[Journal of general chemistry of the USSR, 1979, vol. 49, # 11, p. 2165 - 2169][Zhurnal Obshchei Khimii, 1979, vol. 49, # 11, p. 2452 - 2458]
[2]Sakura, Sachiko; Imai, Hideo; Anzai, Hiroyuki; Moriya, Tetsuo
[Bulletin of the Chemical Society of Japan, 1988, vol. 61, p. 3181 - 3186]
[3]Kurnia, Kiki Adi; Mohd Faridz Hilmy, Nurfathiah Izzaty; Yahya, Wan Zaireen Nisa
[Journal of Molecular Liquids, 2020, vol. 320]

Downstream Synthesis Route 5

• 3240-34-4
• 311-28-4

• 121691-76-7

Reference: [1]Šindelář, Vladimír; Del Mauro, Arico; Kokan, Zoran
[Chemical Communications, 2022, vol. 58, # 23, p. 3815 - 3818]
[2]Armas, Pedro de; Concepcion, Jose I.; Francisco, Cosme G.; Hernandez, Rosendo; Salazar, Jose A.; Suarez, Ernesto
[Journal of the Chemical Society. Perkin transactions I, 1989, p. 405 - 411]
[3]Kandrnálová, Markéta; Kokan, Zoran; Havel, Václav; Nečas, Marek; Šindelář, Vladimír
[Angewandte Chemie - International Edition, 2019, vol. 58, # 50, p. 18182 - 18185][Angew. Chem., 2019, vol. 131, # 50, p. 18350 - 18353,4]

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