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174484-84-5 molecular structure
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3-(chloromagnesio)-N,N-bis(trimethylsilyl)aniline

ChemBase ID: 151641
Molecular Formular: C12H22ClMgNSi2
Molecular Mass: 296.23878
Monoisotopic Mass: 295.08297215
SMILES and InChIs

SMILES:
C[Si](C)(C)N(c1cccc(c1)[Mg]Cl)[Si](C)(C)C
Canonical SMILES:
Cl[Mg]c1cccc(c1)N([Si](C)(C)C)[Si](C)(C)C
InChI:
InChI=1S/C12H22NSi2.ClH.Mg/c1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;;/h7-8,10-11H,1-6H3;1H;/q;;+1/p-1
InChIKey:
WTHNLZGMHQKYRT-UHFFFAOYSA-M

Cite this record

CBID:151641 http://www.chembase.cn/molecule-151641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(chloromagnesio)-N,N-bis(trimethylsilyl)aniline
IUPAC Traditional name
3-(chloromagnesio)-N,N-bis(trimethylsilyl)aniline
Synonyms
3-[Bis(trimethylsilyl)amino]phenylmagnesium chloride, 1M in 2-MeTHF
3-[Bis(trimethylsilyl)amino]phenylmagnesium chloride solution
3-[双(三甲基硅烷)胺基]苯基溴化镁,1M 2-甲基四氢呋喃溶液
3-[双(三甲基甲硅烷基)氨基]苯基氯化镁 溶液
CAS Number
174484-84-5
MDL Number
MFCD00134370
Beilstein Number
7706704
PubChem SID
162245791
24863141
PubChem CID
4191284

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4191284 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9488986  LogD (pH = 7.4) 3.9489 
Log P 3.9489  Molar Refractivity 69.7259 cm3
Polarizability 32.230083 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
67 °C expand Show data source
Flash Point
10.4 °F expand Show data source
-12 °C expand Show data source
Density
0.954 g/mL at 25 °C expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 expand Show data source
UN2924 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-14-19-34 expand Show data source
11-14-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
8-16-26-36/37-39-43-45 expand Show data source
TSCA Listed
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
H224-H314-H318-EUH014 expand Show data source
H225-H314-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
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 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
1.0 M in THF expand Show data source
1M in 2-MeTHF expand Show data source
Linear Formula
[(CH3)3Si]2NC6H4MgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 372005 external link
Packaging
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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