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597-52-4 molecular structure
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triethylsilanol

ChemBase ID: 149324
Molecular Formular: C6H16OSi
Molecular Mass: 132.27614
Monoisotopic Mass: 132.09704166
SMILES and InChIs

SMILES:
CC[Si](CC)(CC)O
Canonical SMILES:
CC[Si](CC)(CC)O
InChI:
InChI=1S/C6H16OSi/c1-4-8(7,5-2)6-3/h7H,4-6H2,1-3H3
InChIKey:
WVMSIBFANXCZKT-UHFFFAOYSA-N

Cite this record

CBID:149324 http://www.chembase.cn/molecule-149324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethylsilanol
IUPAC Traditional name
triethyl hydroxy silicon
Synonyms
Triethylsilanol
三乙基硅烷醇
CAS Number
597-52-4
EC Number
209-903-6
MDL Number
MFCD00042640
Beilstein Number
1732848
PubChem SID
24863741
24889382
162243492
PubChem CID
69005

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69005 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.735245  H Acceptors
H Donor LogD (pH = 5.5) 1.7639999 
LogD (pH = 7.4) 1.763998  Log P 1.764 
Molar Refractivity 34.0673 cm3 Polarizability 15.331136 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
154°C expand Show data source
158 °C(lit.) expand Show data source
86-87 °C/33 mmHg(lit.) expand Show data source
Flash Point
134.6 °F expand Show data source
57 °C expand Show data source
57°C(135°F) expand Show data source
Density
0.860 expand Show data source
0.864 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4330 expand Show data source
n20/D 1.433(lit.) expand Show data source
n20/D 1.434 expand Show data source
UN Number
1987 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A 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 1987 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
(C2H5)3SiOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 380423 external link
Packaging
5 mL in glass bottle
Sigma Aldrich - 90560 external link
Other Notes
Starting material for the preparation of triethylsilyl N,N,N′,N′-tetramethyl phosphorodiamidite1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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