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41251-37-0 molecular structure
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iodo(2H3)methylmagnesium

ChemBase ID: 150873
Molecular Formular: CH3IMg
Molecular Mass: 166.24399
Monoisotopic Mass: 165.9129898
SMILES and InChIs

SMILES:
C[Mg]I
Canonical SMILES:
C[Mg]I
InChI:
InChI=1S/CH3.HI.Mg/h1H3;1H;/q;;+1/p-1
InChIKey:
AUPXBVDHVRZMIB-UHFFFAOYSA-M

Cite this record

CBID:150873 http://www.chembase.cn/molecule-150873.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iodo(2H3)methylmagnesium
IUPAC Traditional name
iodo(2H3)methylmagnesium
Synonyms
Trideutero-methylmagnesium iodide
Methyl-d3-magnesium iodide solution
三氘代甲基碘化镁
甲基-d3-碘化镁 溶液
CAS Number
41251-37-0
MDL Number
MFCD00001027
Beilstein Number
3587273
PubChem SID
24857634
162245033
PubChem CID
11217483

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
293091 external link Add to cart Please log in.
Data Source Data ID
PubChem 11217483 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6147  LogD (pH = 7.4) 0.6147 
Log P 0.6147  Molar Refractivity 19.1209 cm3
Polarizability 9.743348 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
0.871 g/mL at 25 °C expand Show data source
Mass Shift
M+3 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
11-14/15-19-22-34-67 expand Show data source
Safety Statements
16-26-36/37/39-43-45 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-H260-H302-H314-H336 expand Show data source
GHS Precautionary statements
P210-P223-P231 + P232-P261-P370 + P378-P422 expand Show data source
RID/ADR
UN 3399 4.3/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Concentration
1.0 M in diethyl ether expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Linear Formula
CD3MgI expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 293091 external link
Packaging
100 mL in Sure/Seal™
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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