2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide

• ChemBase ID: 10014
• Molecular Formular: C6H12F3NOSi
• Molecular Mass: 199.2462896
• Monoisotopic Mass: 199.0640252
• SMILES: FC(F)(F)C(=O)N([Si](C)(C)C)C
• Canonical SMILES: CN([Si](C)(C)C)C(=O)C(F)(F)F
• InChI: InChI=1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3
• InChIKey: MSPCIZMDDUQPGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide
• IUPAC Traditional name: 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide
• Synonyms: N-Methyl-N-trimethylsilyltrifluoroacetamide; MSTFA; N-(Trifluoroacetyl)-N-(trimethylsilyl)methylamine; (N-Methyltrifluoroacetamido)trimethylsilane; N-Methyl-N-(trimethylsilyl)trifluoroacetamide; N-Trimethylsilyl-N-methyl trifluoroacetamide; N-Methyl-N-(trimethylsilyl)trifluoroacetamide with 1% trimethylchlorosilane; MSTFA activated III; N-Methyl-N-trimethylsilyltrifluoroacetamide imidazole mixture; N-Methyl-N-trimethylsilyltrifluoroacetamide activated III; N-Methyl-N-(trimethylsilyl)trifluoroacetamide; N-METHYL-N-(TRIMETHYLSILYL)-TRIFLUOROACETAMIDE; N-Trimethylsilyl-N-methyltrifluoroacetamide; 2,2,2-Trifluoro-N-methyl-N-(trimethylsilyl)acetamide; N-Methyl-N-trimethylsilyltrifluoracetamide; NSC 339701; 含 1% 三甲基氯硅烷的 N-甲基-N-(三甲基硅烷基)三氟乙酰胺; MSTFA 活化物 III; N-甲基-N-(三甲基硅烷基)三氟乙酰胺咪唑混合物; N-甲基-N-(三甲基硅烷基)三氟乙酰胺活化物 III; N-三甲基硅基-N-甲基三氟乙酰胺; N-甲基-N-(三甲基硅基)三氟乙酰胺; N-甲基-N-(三甲基硅烷)三氟乙酰胺

Database IDs

• CAS Number: 24589-78-4
• EC Number: 246-331-6
• MDL Number: MFCD00000411
• Beilstein Number: 1941550
• PubChem SID: 24885931; 24897196; 160973321; 24845740; 24847454; 24885932; 24864622
• PubChem CID: 32510

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0294
• LogD (pH = 7.4): 2.0294
• Log P: 2.0294
• Molar Refractivity: 36.9131 cm^3
• Polarizability: 15.473485 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-132 °C(lit.); 130-132°C; 130-132°C
• Flash Point: 25°C; 25°C(77°F); 26 °C; 78.8 °F
• Density: 1.07 g/mL at 25 °C(lit.); 1.074; 1.075 g/ml; 1.075 g/mL at 25 °C(lit.); 1.076
• Refractive Index: 1.38; 1.3800; n20/D 1.378; n20/D 1.379; n20/D 1.38(lit.); n20/D 1.380; n20/D 1.383
• Vapor Pressure: 8.8 mm Hg (27°C); 8.8 mmHg ( 27 °C)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Flammable/Irritant/Moisture Sensitive/Keep Cold/Store under Argon; IRRITANT, MOISTURE SENSITIVE, FLAMMABLE; Moisture Sensitive
• RTECS: AC9800000
• European Hazard Symbols: Flammable (F); Toxic (T); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 10-36/37/38; 61-10-36/37/38; R:11-36/37/38
• Safety Statements: 26; 26-36; 53-26-45; 7-26-33-37-43-60; S:16-20-25-26-37/39
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H226-H315-H318-H335-H360D; H226-H315-H319-H335
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); ≥98.5%; ≥98.5% (GC); 97%
• Grade: for derivatization; for GC; for GC derivatization; puriss. p.a.; purum; synthesis grade
• Suitability: suitable for silylation
• Derivatization reagent for: Silylations
• Linear Formula: CF3CON(CH3)Si(CH3)3
• Empirical Formula (Hill Notation): C6H12F3NOSi

DETAILS

MP Biomedicals - 02155675

(MSTFA) 1 ml = approx. 1.07 g

Apollo Scientific Ltd - PC0132

A powerful silylation reagent with volatile byproducts:J. Chromat., 115, 591 (1975); 134, 387 (1977).

Sigma Aldrich - M7891

包装
Sealed ampules contain 1 ml. Gram sizes are in screw-cap bottles.

Sigma Aldrich - 394866

Packaging
10×1, 5, 25 mL in ampule
Application
Silylating agent used to form volatile derivatives for GC-MS analysis.1Improved silylation procedure for simultaneous detection of steroid hormones 17-α-ethynylestradiol and estrone.2

Sigma Aldrich - 69479

Other Notes
Powerful silylating agent1,2,3,4
Protocols & Applications
Derivatisation of Non-Steroidal Anti-Inflammatory Drugs with Activated Silylating Reagents

Sigma Aldrich - 69478

Application
Addition of Trimethylchlorosilane aids in the derivatization of amides, secondary amines and hindered hydroxy groups. Most volatile of the TMS derivatives often elutes at the solvent front of the GC.

Sigma Aldrich - 12124

Analysis Note
Derivatizing agent for the per(trimethylsilylation) of analytes for GC and GC-MS1
Other Notes
Derivatizing agent for the per(trimethylsilylation) of analytes for GC and GC-MS1

Sigma Aldrich - 04438

Analysis Note
applications test: suitable for the silylation of testosterone, tested by GCMS
Packaging
package with 10x1ml vials

Toronto Research Chemicals - M331125

A new metabolite of Famprofazone in humans.

REFERENCES

• Caldwell, J., et al.: Biochem. J., 129, 11 (1972)
• Oh, E., et al.: Xenobiotica, 22, 377 (1972)
• Shin, H.S., et al.: J. Anal. Toxicol., 22, 55 (1972)
• Powerful silylating agent for a wide range of functional groups: J. Chromat., 115, 591 (1975); 134, 387 (1977); Chromatographia, 9, 440 (1976). See Appendix 4.