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89980-69-8 molecular structure
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bromo(3,4-dimethoxyphenyl)magnesium

ChemBase ID: 151843
Molecular Formular: C8H9BrMgO2
Molecular Mass: 241.36486
Monoisotopic Mass: 239.96363323
SMILES and InChIs

SMILES:
COc1ccc(cc1OC)[Mg]Br
Canonical SMILES:
COc1cc([Mg]Br)ccc1OC
InChI:
InChI=1S/C8H9O2.BrH.Mg/c1-9-7-5-3-4-6-8(7)10-2;;/h3,5-6H,1-2H3;1H;/q;;+1/p-1
InChIKey:
BHTPZWCAIHFRSY-UHFFFAOYSA-M

Cite this record

CBID:151843 http://www.chembase.cn/molecule-151843.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(3,4-dimethoxyphenyl)magnesium
IUPAC Traditional name
bromo(3,4-dimethoxyphenyl)magnesium
Synonyms
3,4-Dimethoxyphenylmagnesium bromide, 0.5M in THF
3,4-Dimethoxyphenylmagnesium bromide solution
3,4-二甲氧基苯基溴化镁,0.5M THF溶液
3,4-二甲氧基苯基溴化镁 溶液
CAS Number
89980-69-8
MDL Number
MFCD01311476
PubChem SID
24879993
162245989
PubChem CID
11010104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11010104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2819  LogD (pH = 7.4) 1.2819 
Log P 1.2819  Molar Refractivity 47.1359 cm3
Polarizability 20.096735 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
65 °C expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.960 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
Irritant Irritant (Xi) 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
11-19-36/37 expand Show data source
Safety Statements
16-26 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-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
0.5M in THF expand Show data source
Linear Formula
(CH3O)2C6H3MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 561975 external link
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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