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118722-54-6 molecular structure
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2-[dimethyl(prop-2-en-1-yl)silyl]pyridine

ChemBase ID: 141423
Molecular Formular: C10H15NSi
Molecular Mass: 177.3183
Monoisotopic Mass: 177.09737602
SMILES and InChIs

SMILES:
C[Si](C)(CC=C)c1ccccn1
Canonical SMILES:
C=CC[Si](c1ccccn1)(C)C
InChI:
InChI=1S/C10H15NSi/c1-4-9-12(2,3)10-7-5-6-8-11-10/h4-8H,1,9H2,2-3H3
InChIKey:
WIRIPVDRZYVTCG-UHFFFAOYSA-N

Cite this record

CBID:141423 http://www.chembase.cn/molecule-141423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[dimethyl(prop-2-en-1-yl)silyl]pyridine
IUPAC Traditional name
2-[dimethyl(prop-2-en-1-yl)silyl]pyridine
Synonyms
Allyldimethyl(2-pyridyl)silane
2-(Allyldimethylsilyl)pyridine
烯丙基二甲基(2-吡啶基)硅烷
2-(烯丙基二甲基甲硅烷基)吡啶
CAS Number
118722-54-6
MDL Number
MFCD09265157
PubChem SID
162235657
24885637
PubChem CID
11217563

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
681482 external link Add to cart Please log in.
Data Source Data ID
PubChem 11217563 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4641669  LogD (pH = 7.4) 3.6480465 
Log P 3.651  Molar Refractivity 49.4901 cm3
Polarizability 21.354443 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
Density
0.913 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.5046 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 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
Storage Temperature
2-8°C expand Show data source
Purity
90% expand Show data source
Linear Formula
(CH2CHCH2)Si(CH3)2(C5H4N) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 681482 external link
Application
Unlike most 2-pyridyl metal complexes, this compound participates in Pd-catalyzed cross-coupling reactions with aryl iodides in the presence of silver(I) oxide.1
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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