Tetraethylammonium Iodide

• CAS: 68-05-3
• Catalog Number: ACM68053
• Category: Ammonium Ionic Liquids
• Molecular Weight: 257.16
• Molecular Formula: C8H20IN
• Synonyms: N,N,N-triethyl-ethanaminiuiodide
• IUPAC Name: tetraethylazanium;iodide
• Canonical SMILES: CC[N+](CC)(CC)CC.[I-]
• InChI: InChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
• InChI Key: UQFSVBXCNGCBBW-UHFFFAOYSA-M
• Melting Point: 123 °C
• Appearance: White to Almost white powder to crystal
• Application: Reagent for conversion of ?,?-enones in TFA to b-iodo ketones in high yield.
• Storage: Store under inert gas
• Complexity: 47.5
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 200-676-9
• Exact Mass: 257.064g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• Heavy Atom Count: 10
• MDL Number: MFCD00011829
• Monoisotopic Mass: 257.064g/mol
• NSC Number: 215205
• Physical State: White crystal or powder
• 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.
• Rotatable Bond Count: 4
• Signal Word: Warning
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of tetraethylammonium iodide?

The molecular formula of tetraethylammonium iodide is C8H20IN.

What is the molecular weight of tetraethylammonium iodide?

The molecular weight of tetraethylammonium iodide is 257.16 g/mol.

What is the IUPAC name of tetraethylammonium iodide?

The IUPAC name of tetraethylammonium iodide is tetraethylazanium iodide.

What is the InChIKey for tetraethylammonium iodide?

The InChIKey for tetraethylammonium iodide is UQFSVBXCNGCBBW-UHFFFAOYSA-M.

What is the Canonical SMILES for tetraethylammonium iodide?

The Canonical SMILES for tetraethylammonium iodide is CC[N+](CC)(CC)CC.[I-].

What is the CAS number for tetraethylammonium iodide?

The CAS number for tetraethylammonium iodide is 68-05-3.

How many hydrogen bond acceptor counts does tetraethylammonium iodide have?

Tetraethylammonium iodide has 1 hydrogen bond acceptor count.

What is the topological polar surface area of tetraethylammonium iodide?

The topological polar surface area of tetraethylammonium iodide is 0-2.

How many rotatable bond counts does tetraethylammonium iodide have?

Tetraethylammonium iodide has 4 rotatable bond counts.

What is the complexity value of tetraethylammonium iodide?

The complexity value of tetraethylammonium iodide is 47.5.

Synthetic Use

Upstream Synthesis Route 1

• 79-50-5

• 13031-04-4
• 68-05-3

Reference: [1] Tetrahedron, 1980, vol. 36, p. 1649 - 1666

Downstream Synthesis Route 1

• 68-05-3

• 56-34-8

Reference: [1] Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1983, p. 827 - 834

Downstream Synthesis Route 2

• 68-05-3

• 665-46-3

Reference: [1] Patent: CN103992275, 2016, B, . Location in patent: Paragraph 0264; 0265; 0266; 0267; 0268; 0269

Downstream Synthesis Route 3

• 3533-07-1
• 68-05-3

• 137415-32-8

Reference: [1]Collection of Czechoslovak Chemical Communications,1986,vol. 51,p. 1942 - 1947

Downstream Synthesis Route 4

• 68-05-3
• 57528-86-6

• 75713-44-9

Reference: [1]Tetrahedron,1980,vol. 36,p. 1649 - 1666

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