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MFCD00044645 molecular structure
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lithium(1+) ion methyllithium bromide

ChemBase ID: 151693
Molecular Formular: CH3BrLi2
Molecular Mass: 108.82052
Monoisotopic Mass: 107.9738212
SMILES and InChIs

SMILES:
[Li+].[Li]C.[Br-]
Canonical SMILES:
[Li]C.[Li+].[Br-]
InChI:
InChI=1S/CH3.BrH.2Li/h1H3;1H;;/q;;;+1/p-1
InChIKey:
XLIKYFMMLMHLKL-UHFFFAOYSA-M

Cite this record

CBID:151693 http://www.chembase.cn/molecule-151693.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion methyllithium bromide
IUPAC Traditional name
lithium(1+) ion LiMe bromide
Synonyms
Methyllithium lithium bromide complex solution
甲基锂-溴化锂络合物 溶液
MDL Number
MFCD00044645
Beilstein Number
3587162
PubChem SID
24851207
162245843
PubChem CID
2724011

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
186201 external link Add to cart Please log in.
Data Source Data ID
PubChem 2724011 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.243  LogD (pH = 7.4) 0.243 
Log P 0.243  Molar Refractivity 5.5491 cm3
Polarizability 3.84631 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
-18.4 °F expand Show data source
-28 °C expand Show data source
Density
0.852 g/mL at 25 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) 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
11-19-22-66-67 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H336 expand Show data source
GHS Precautionary statements
P210-P261 expand Show data source
RID/ADR
UN 3399 4.3/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Repeated exposure may cause skin dryness or cracking. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
1.5 M in diethyl ether expand Show data source
Linear Formula
CH3Li · LiBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 186201 external link
Packaging
1 L in Sure/Seal™
View returnable container options.
18 L in Kilo-Lab™
4×25, 100, 800 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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