Trimethylsilyl Trifluoroacetate

• CAS: 400-53-3
• Catalog Number: ACM400533
• Category: Other Organosilicon
• Molecular Weight: 186.21 g/mol
• Molecular Formula: C5H9F3O2Si
• Synonyms: Trifluoroacetic Acid Trimethylsilyl Ester
• IUPAC Name: trimethylsilyl2,2,2-trifluoroacetate
• Canonical SMILES: C[Si](C)(C)OC(=O)C(F)(F)F
• InChI Key: VIYXXANHGYSBLY-UHFFFAOYSA-N
• Boiling Point: 90 °C
• Flash Point: 13 °C
• Density: 1.117g/cm³
• Appearance: Colorless to Light yellow to Light orange clear liquid
• Storage: Store under inert gas
• EC Number: 2069237
• Exact Mass: 186.03200
• Hazard Statements: H314 : Causes severe skin burns and eye damage.; H225 : Highly flammable liquid and vapour.
• MDL Number: MFCD00000413
• Packaging: 10 g; 100 g
• Packing Group: II
• Precautionary Statements: P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.; P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.; P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.; P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.; P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/d°Ctor.; P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/d°Ctor.
• PubChem ID: 87561626
• Safety Description: 16-26-36/37/39-45
• Signal Word: Danger
• Specific Gravity: 1.07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Trimethylsilyl trifluoroacetate?

The molecular formula of Trimethylsilyl trifluoroacetate is C5H9F3O2Si.

What are some synonyms for Trimethylsilyl trifluoroacetate?

Some synonyms for Trimethylsilyl trifluoroacetate are trimethylsilyl 2,2,2-trifluoroacetate, trimethylsilyltrifluoroacetate, and acetic acid, trifluoro-, trimethylsilyl ester.

What is the molecular weight of Trimethylsilyl trifluoroacetate?

The molecular weight of Trimethylsilyl trifluoroacetate is 186.20 g/mol.

When was Trimethylsilyl trifluoroacetate first created in the database?

Trimethylsilyl trifluoroacetate was first created in the database on 2005-03-27.

What is the InChIKey of Trimethylsilyl trifluoroacetate?

The InChIKey of Trimethylsilyl trifluoroacetate is VIYXXANHGYSBLY-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does Trimethylsilyl trifluoroacetate have?

Trimethylsilyl trifluoroacetate has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of Trimethylsilyl trifluoroacetate?

The topological polar surface area of Trimethylsilyl trifluoroacetate is 26.3Ų.

Is Trimethylsilyl trifluoroacetate considered a canonical compound?

Yes, Trimethylsilyl trifluoroacetate is considered a canonical compound.

How many rotatable bond counts does Trimethylsilyl trifluoroacetate have?

Trimethylsilyl trifluoroacetate has 2 rotatable bond counts.

What is the formal charge of Trimethylsilyl trifluoroacetate?

The formal charge of Trimethylsilyl trifluoroacetate is 0.

Synthetic Use

Upstream Synthesis Route 1

• 75-77-4
• 76-05-1

• 400-53-3

Reference: [1]Werstiuk, Nick Henry; Brook, Michael A.; Huelser, Peter
[Canadian Journal of Chemistry, 1988, vol. 66, p. 1430 - 1439]
[2]Makarskaya,V.M. et al.
[Journal of applied chemistry of the USSR, 1977, vol. 50, p. 2034 - 2035][Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1977, vol. 50, # 9, p. 2129 - 2130]

Downstream Synthesis Route 1

• 867-13-0
• 400-53-3

• 372-31-6

Reference: [1] Journal of the Chinese Chemical Society, 2007, vol. 54, # 3, p. 749 - 757
[2] Phosphorus, Sulfur and Silicon and Related Elements, 1997, vol. 126, p. 1 - 10

Downstream Synthesis Route 2

• 400-53-3
• 536-80-1

• 2712-78-9

Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 8.2, p. 1633 - 1634[2] Zhurnal Organicheskoi Khimii, 1989, vol. 25, # 8, p. 1807 - 1808

Downstream Synthesis Route 3

• 400-53-3

• 81290-20-2

Reference: [1] Patent: US2007/276149, 2007, A1, . Location in patent: Page/Page column 5-6

Downstream Synthesis Route 4

• 21960-28-1
• 400-53-3

• 122977-62-2

Reference: [1]Begue, J. P.; Mesureur, D.
[Journal of Fluorine Chemistry, 1988, vol. 39, p. 271 - 282]

Downstream Synthesis Route 5

• 122982-71-2
• 400-53-3

• 122977-64-4

Reference: [1]Begue, J. P.; Mesureur, D.
[Journal of Fluorine Chemistry, 1988, vol. 39, p. 271 - 282]

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