Home > Compound List > Compound details
13139-86-1 molecular structure
click picture or here to close

bromo(4-methoxyphenyl)magnesium

ChemBase ID: 150432
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:150432 http://www.chembase.cn/molecule-150432.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-methoxyphenyl)magnesium
IUPAC Traditional name
bromo(4-methoxyphenyl)magnesium
Synonyms
4-Anisylmagnesium bromide
4-Methoxyphenylmagnesium bromide, 0.25M in THF
4-Methoxyphenylmagnesium bromide solution
4-Methoxyphenylmagnesium bromide, 1.0 M in 2-MeTHF
4-甲氧基苯基溴化镁,0.25M 2-MeTHF溶液
4-甲氧基苯基溴化镁 溶液
4-甲氧基苯基溴化镁,1.0M 2-MeTHF溶液
CAS Number
13139-86-1
MDL Number
MFCD00013515
PubChem SID
24870649
162244593
PubChem CID
2734898

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2734898 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5346  LogD (pH = 7.4) 1.5346 
Log P 1.5346  Molar Refractivity 40.6727 cm3
Polarizability 17.532217 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)
Boiling Point
65-67 °C expand Show data source
Flash Point
-20 °C expand Show data source
-20°C(-4°F) expand Show data source
-4 °F expand Show data source
Density
0.955 expand Show data source
0.955 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
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
11-14-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
8-16-26-36/37/39-43-45 expand Show data source
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 Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314-H335 expand Show data source
H225-H314-H351-H335 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
0.25M in THF expand Show data source
0.5 M in THF expand Show data source
1.0 M in 2-MeTHF expand Show data source
Linear Formula
CH3OC6H4MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 470260 external link
Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle