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100-58-3 molecular structure
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phenylmagnesiumylium bromide

ChemBase ID: 303679
Molecular Formular: C6H5BrMg
Molecular Mass: 181.3129
Monoisotopic Mass: 179.94250386
SMILES and InChIs

SMILES:
c1ccc(cc1)[Mg+].[Br-]
Canonical SMILES:
[Mg+]c1ccccc1.[Br-]
InChI:
InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
InChIKey:
ANRQGKOBLBYXFM-UHFFFAOYSA-M

Cite this record

CBID:303679 http://www.chembase.cn/molecule-303679.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenylmagnesiumylium bromide
IUPAC Traditional name
phenylmagnesiumylium bromide
Synonyms
Phenylmagnesium bromide, 3M in ether
Phenylmagnesium bromide, 3 M in ether
苯基溴化镁, 3M乙醚溶液
苯基溴化镁, 3M 乙醚溶液, 氩气下可重封的ChemSeal™瓶包装
CAS Number
100-58-3
MDL Number
MFCD00000038

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 42859 external link Add to cart 87326 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8522  LogD (pH = 7.4) 0.8522 
Log P 0.8522  Molar Refractivity 25.4743 cm3
Polarizability 12.052695 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)
Apperance
Liquid expand Show data source
Density
1.14 expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Highly flammable Highly flammable (F+) expand Show data source
X expand Show data source
UN Number
UN3399 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
12-14/15-19-22-35-66-67 expand Show data source
Safety Statements
9-16-26-29-30-33-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Hazard statements
H224-H261-H301-H336-H314-H318 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Concentration
3M in ether expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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