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24589-78-4 molecular structure
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2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide

ChemBase ID: 10014
Molecular Formular: C6H12F3NOSi
Molecular Mass: 199.2462896
Monoisotopic Mass: 199.0640252
SMILES and InChIs

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

Cite this record

CBID:10014 http://www.chembase.cn/molecule-10014.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0294  LogD (pH = 7.4) 2.0294 
Log P 2.0294  Molar Refractivity 36.9131 cm3
Polarizability 15.473485 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
130-132 °C(lit.) expand Show data source
130-132°C expand Show data source
130-132°C expand Show data source
Flash Point
25°C expand Show data source
25°C(77°F) expand Show data source
26 °C expand Show data source
78.8 °F expand Show data source
Density
1.07 g/mL at 25 °C(lit.) expand Show data source
1.074 expand Show data source
1.075 g/ml expand Show data source
1.075 g/mL at 25 °C(lit.) expand Show data source
1.076 expand Show data source
Refractive Index
1.38 expand Show data source
1.3800 expand Show data source
n20/D 1.378 expand Show data source
n20/D 1.379 expand Show data source
n20/D 1.38(lit.) expand Show data source
n20/D 1.380 expand Show data source
n20/D 1.383 expand Show data source
Vapor Pressure
8.8 mm Hg (27°C) expand Show data source
8.8 mmHg ( 27 °C) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Storage Condition
2-8°C expand Show data source
Storage Warning
Flammable/Irritant/Moisture Sensitive/Keep Cold/Store under Argon expand Show data source
IRRITANT, MOISTURE SENSITIVE, FLAMMABLE expand Show data source
Moisture Sensitive expand Show data source
RTECS
AC9800000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
3Y expand Show data source
Risk Statements
10-36/37/38 expand Show data source
61-10-36/37/38 expand Show data source
R:11-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
53-26-45 expand Show data source
7-26-33-37-43-60 expand Show data source
S:16-20-25-26-37/39 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3B expand Show data source
Emergency Response Guidebook(ERG) Number
128 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H226-H315-H318-H335-H360D expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P201-P261-P280-P305 + P351 + P338-P308 + P313 expand Show data source
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥98.5% expand Show data source
≥98.5% (GC) expand Show data source
97% expand Show data source
Grade
for derivatization expand Show data source
for GC expand Show data source
for GC derivatization expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
synthesis grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
suitable for silylation expand Show data source
Derivatization reagent for
Silylations expand Show data source
Linear Formula
CF3CON(CH3)Si(CH3)3 expand Show data source
Empirical Formula (Hill Notation)
C6H12F3NOSi expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02155675 external link
(MSTFA) 1 ml = approx. 1.07 g
Apollo Scientific Ltd - PC0132 external link
A powerful silylation reagent with volatile byproducts:J. Chromat., 115, 591 (1975); 134, 387 (1977).
Sigma Aldrich - M7891 external link
包装
Sealed ampules contain 1 ml. Gram sizes are in screw-cap bottles.
Sigma Aldrich - 394866 external link
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 external link
Other Notes
Powerful silylating agent1,2,3,4
Protocols & Applications
Derivatisation of Non-Steroidal Anti-Inflammatory Drugs with Activated Silylating Reagents
Sigma Aldrich - 69478 external link
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 external link
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 external link
Analysis Note
applications test: suitable for the silylation of testosterone, tested by GCMS
Packaging
package with 10x1ml vials
Toronto Research Chemicals - M331125 external link
A new metabolite of Famprofazone in humans.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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.
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PATENTS

PATENTS

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INTERNET

INTERNET

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