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13170-43-9 molecular structure
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[(chloromagnesio)methyl]trimethylsilane

ChemBase ID: 150921
Molecular Formular: C4H11ClMgSi
Molecular Mass: 146.97364
Monoisotopic Mass: 146.01689626
SMILES and InChIs

SMILES:
C[Si](C)(C)C[Mg]Cl
Canonical SMILES:
Cl[Mg]C[Si](C)(C)C
InChI:
InChI=1S/C4H11Si.ClH.Mg/c1-5(2,3)4;;/h1H2,2-4H3;1H;/q;;+1/p-1
InChIKey:
NAQATMJWCJCHOZ-UHFFFAOYSA-M

Cite this record

CBID:150921 http://www.chembase.cn/molecule-150921.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(chloromagnesio)methyl]trimethylsilane
IUPAC Traditional name
[(chloromagnesio)methyl]trimethylsilane
Synonyms
(Trimethylsilyl)methylmagnesium chloride solution
(三甲基硅基)甲基氯化镁 溶液
CAS Number
13170-43-9
MDL Number
MFCD00009916
Beilstein Number
3587255
PubChem SID
162245081
24855503
PubChem CID
2734900

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
256021 external link Add to cart Please log in.
Data Source Data ID
PubChem 2734900 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.456  LogD (pH = 7.4) 2.456 
Log P 2.456  Molar Refractivity 27.2599 cm3
Polarizability 14.87806 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)
Flash Point
-40 °C expand Show data source
-40 °F expand Show data source
Density
0.777 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
11-14-19-22-34-67 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H314-H336 expand Show data source
GHS Precautionary statements
P210-P261-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 3399 4.3/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
1.0 M in diethyl ether expand Show data source
Linear Formula
(CH3)3SiCH2MgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 256021 external link
Packaging
100 mL in Sure/Seal™
Application
Reagent used in a variety of nickel catalyzed reactions including alkenation of dithioacetals,1 cross-coupling with aryl triflates and carbamates,2 and cross-coupling with vinyl selenides.3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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