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43112-38-5 molecular structure
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3-(trimethylsilyl)-1,3-oxazolidin-2-one

ChemBase ID: 137158
Molecular Formular: C6H13NO2Si
Molecular Mass: 159.25842
Monoisotopic Mass: 159.07155519
SMILES and InChIs

SMILES:
C[Si](C)(C)N1CCOC1=O
Canonical SMILES:
O=C1OCCN1[Si](C)(C)C
InChI:
InChI=1S/C6H13NO2Si/c1-10(2,3)7-4-5-9-6(7)8/h4-5H2,1-3H3
InChIKey:
AUKCYOUETBBMFV-UHFFFAOYSA-N

Cite this record

CBID:137158 http://www.chembase.cn/molecule-137158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(trimethylsilyl)-1,3-oxazolidin-2-one
IUPAC Traditional name
3-(trimethylsilyl)-1,3-oxazolidin-2-one
Synonyms
TMSO
2-Oxo-3-(trimethylsilyl)-1,3-oxazolidine
3-(Trimethylsilyl)-2-oxazolidinone
3-Trimethylsilyl-2-oxazolidinone
2-氧-3-三甲基硅基-1,3-噁唑烷
3-三甲基甲硅烷基-2-噁唑烷酮
CAS Number
43112-38-5
EC Number
256-098-2
MDL Number
MFCD00010197
Beilstein Number
1210407
PubChem SID
24889723
162231423
PubChem CID
123514

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 123514 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 1.3656  LogD (pH = 7.4) 1.3656 
Log P 1.3656  Molar Refractivity 35.5575 cm3
Polarizability 15.934442 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
87-89 °C/0.8 mmHg expand Show data source
99-100°C/6mm expand Show data source
Flash Point
176 °F expand Show data source
80 °C expand Show data source
92°C(198°F) expand Show data source
Density
1.013 expand Show data source
1.046 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4540 expand Show data source
n20/D 1.455 expand Show data source
Storage Warning
Moisture Sensitive 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
TSCA Listed
expand Show data source
GHS Hazard statements
H227 expand Show data source
GHS Precautionary statements
P210-P280-P370+P378A-P403+P235-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H13NO2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 278912 external link
Application
Silylation reagent for hydroxyls.1,2
Sigma Aldrich - 92771 external link
Other Notes
Silylating agent, useful for the silylation of carboxylic acids, 1,3-dicarbonyl compounds and hydroxy compounds 1,2
Packaging
10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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