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85197-27-9 molecular structure
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tris(tert-butyldimethylsilyl) phosphite

ChemBase ID: 152787
Molecular Formular: C18H45O3PSi3
Molecular Mass: 424.778361
Monoisotopic Mass: 424.24141153
SMILES and InChIs

SMILES:
CC(C)(C)[Si](C)(C)OP(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
Canonical SMILES:
CC([Si](OP(O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)(C)C)(C)C
InChI:
InChI=1S/C18H45O3PSi3/c1-16(2,3)23(10,11)19-22(20-24(12,13)17(4,5)6)21-25(14,15)18(7,8)9/h1-15H3
InChIKey:
PEHSJBUJMHHQDE-UHFFFAOYSA-N

Cite this record

CBID:152787 http://www.chembase.cn/molecule-152787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(tert-butyldimethylsilyl) phosphite
IUPAC Traditional name
tris(tert-butyldimethylsilyl) phosphite
Synonyms
Tris(tert-butyldimethylsilyl) phosphite
三(叔丁基二甲硅烷基)亚磷酸盐
CAS Number
85197-27-9
MDL Number
MFCD00077891
Beilstein Number
4437247
PubChem SID
162246930
24889835
PubChem CID
3618755

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
93315 external link Add to cart Please log in.
Data Source Data ID
PubChem 3618755 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.4625673  LogD (pH = 7.4) 7.463883 
Log P 7.4639  Molar Refractivity 104.0741 cm3
Polarizability 47.477924 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
4-6 °C expand Show data source
Boiling Point
82-84 °C/0.2 mmHg expand Show data source
Flash Point
190.4 °F expand Show data source
88 °C expand Show data source
Density
0.907 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.445 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
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 3265 8/PG 3 expand Show data source
Purity
≥97.0% expand Show data source
Empirical Formula (Hill Notation)
C18H45O3PSi3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 93315 external link
Other Notes
Reagent used for the preparation of phosphonic acid silyl esters from halides; the TBDMS esters are more stable than the corresponding TMS esters1; review2
Packaging
5 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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