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13139-86-1 molecular structure
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(4-methoxyphenyl)magnesiumylium bromide

ChemBase ID: 303904
Molecular Formular: C7H7BrMgO
Molecular Mass: 211.33888
Monoisotopic Mass: 209.95306854
SMILES and InChIs

SMILES:
COc1ccc(cc1)[Mg+].[Br-]
Canonical SMILES:
COc1ccc(cc1)[Mg+].[Br-]
InChI:
InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1
InChIKey:
JKXAZEXIOPFJSC-UHFFFAOYSA-M

Cite this record

CBID:303904 http://www.chembase.cn/molecule-303904.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methoxyphenyl)magnesiumylium bromide
IUPAC Traditional name
(4-methoxyphenyl)magnesiumylium bromide
Synonyms
4-Anisylmagnesium bromide
4-Methoxyphenylmagnesium bromide, 0.5M in THF
4-甲氧基苯基溴化镁,0.5M THF溶液
CAS Number
13139-86-1
MDL Number
MFCD00013515

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 89435 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5995  LogD (pH = 7.4) 0.5995 
Log P 0.5995  Molar Refractivity 31.9375 cm3
Polarizability 14.545465 Å3 Polar Surface Area 9.23 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
Flash Point
-20°C(-4°F) expand Show data source
Density
0.955 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
UN2924 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-14-19-34-37 expand Show data source
Safety Statements
8-9-16-20-23-26-30-33-36/37/39-45-60 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
GHS08 expand Show data source
GHS Hazard statements
H225-H314-H351-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Concentration
0.5M in THF expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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