Basic information
- CAS
400-53-3- Standard SMILES
C[Si](C)(C)OC(=O)C(F)(F)F- InChIKey
VIYXXANHGYSBLY-UHFFFAOYSA-N- Molecular formula
- C5H9F3O2Si
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.03239072
Names & identifiers
- Preferred name
- Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester
- IUPAC
- trimethylsilyl 2,2,2-trifluoroacetate
- English name
- Trimethylsilyl trifluoroacetate
- Molecular formula
- C5H9F3O2Si
- Molecular weight
- 186.2
Names & synonyms
Trimethylsilyl trifluoroacetateAcetic acid, 2,2,2-trifluoro-, trimethylsilyl esterEINECS 206-923-7Trifluoroacetic Acid, TMS derivativeDTXSID6059944RefChem:108899DTXCID7039701206-923-7VIYXXANHGYSBLY-UHFFFAOYSA-N400-53-3trimethylsilyl 2,2,2-trifluoroacetateK6JU5FBY95
Show more names
Trimethysilyl TrifluoroacetateTrimethylsilyltrifluoroacetate96%Trimethyl(trifluoroacetoxy)silaneTrimethylsilyl trifluoroacetate 96%trifluoro-aceticacitrimethylsilylesterTrifluoressigsαure-trimethylsilylesterTrimethylsilyl trifluoroacetate, GC 98%TriMethylsilyl trifluoroacetate, GC >96%
Acetic acid, trifluoro-, trimethylsilyl esterMFCD00000413Trifluoroacetic acid trimethylsilyl esterCF3C(O)OSi(CH3)3trimethylsilyl-trifluoroacetateT2629D92627S20360
Database identifiers
- CAS
400-53-3
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 88 · 88-90 °C(lit.)
- Density
- 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.336(lit.)
- Flash point
- °C
- storage temp.
- Flammables area
- form
- Powder
- Specific Gravity
- 1.078 · 1.078
- color
- White
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- BRN
- 1773314 · 1773314
- InChI
- InChI=1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3
- InChIKey
- VIYXXANHGYSBLY-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2924 3/PG 2
- hs_code
- 29319019
- risk_code
- 11-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C
- hazard_note
- Flammable
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2,2,2-trifluoro-, trimethylsilyl ester: ACTIVE
Applications
UsesTrimethysilyl Trifluoroacetate is a useful research chemical used as a promotor for stereoselective addition of silyl azides to meso epoxides.
Upstream & downstream products
Upstream raw materials
Related reactions
10 records
Compound notes
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