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120120-26-5 molecular structure
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triethyl(trifluoromethyl)silane

ChemBase ID: 151448
Molecular Formular: C7H15F3Si
Molecular Mass: 184.2747096
Monoisotopic Mass: 184.08951167
SMILES and InChIs

SMILES:
CC[Si](CC)(CC)C(F)(F)F
Canonical SMILES:
CC[Si](C(F)(F)F)(CC)CC
InChI:
InChI=1S/C7H15F3Si/c1-4-11(5-2,6-3)7(8,9)10/h4-6H2,1-3H3
InChIKey:
ZHSKFONQCREGOG-UHFFFAOYSA-N

Cite this record

CBID:151448 http://www.chembase.cn/molecule-151448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethyl(trifluoromethyl)silane
IUPAC Traditional name
triethyl(trifluoromethyl)silane
Synonyms
(Trifluoromethyl)triethylsilane
Triethylsilyl trifluoromethane
Triethyl(trifluoromethyl)silane
(三氟甲基)三乙基硅烷
三乙基甲硅烷基三氟甲烷
三乙基(三氟甲基)硅烷
CAS Number
120120-26-5
MDL Number
MFCD00192520
Beilstein Number
4242161
PubChem SID
24866298
162245601
PubChem CID
4204914

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4204914 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3998  LogD (pH = 7.4) 4.3998 
Log P 4.3998  Molar Refractivity 36.8164 cm3
Polarizability 15.8749895 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
56-57 °C/60 mmHg(lit.) expand Show data source
Flash Point
0 °C expand Show data source
32 °F expand Show data source
Density
0.98 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.382 expand Show data source
n20/D 1.382(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
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
2 expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
16-23-24/25 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 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
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(C2H5)3SiCF3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 419982 external link
Packaging
1 g in glass bottle
Application
Reactant for:
• Trifluoromethylation of aryl iodides1
• Trialkylsilylation reactions2
• Used for deposition of perfluoro-methyl silica films3
Sigma Aldrich - 90570 external link
Other Notes
Reagent used for fluoride-induced nucleophilic trifluoromethylations. The higher boiling point of this comp. allows reactions at higher temperatures than with the tri-methyl analogue4,5
Application
Reactant for:
• Trifluoromethylation of aryl iodides1
• Trialkylsilylation reactions2
• Used for deposition of perfluoro-methyl silica films3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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