Home > Compound List > Compound details
328000-16-4 molecular structure
click picture or here to close

[2-(benzyloxy)phenyl](bromo)magnesium

ChemBase ID: 140479
Molecular Formular: C13H11BrMgO
Molecular Mass: 287.43484
Monoisotopic Mass: 285.98436867
SMILES and InChIs

SMILES:
c1ccc(cc1)COc1ccccc1[Mg]Br
Canonical SMILES:
Br[Mg]c1ccccc1OCc1ccccc1
InChI:
InChI=1S/C13H11O.BrH.Mg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1-9H,11H2;1H;/q;;+1/p-1
InChIKey:
VELKJPFZDYXBDE-UHFFFAOYSA-M

Cite this record

CBID:140479 http://www.chembase.cn/molecule-140479.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(benzyloxy)phenyl](bromo)magnesium
IUPAC Traditional name
[2-(benzyloxy)phenyl](bromo)magnesium
Synonyms
2-Benzyloxyphenylmagnesium bromide solution
2-苄氧基苯基溴化镁 溶液
CAS Number
328000-16-4
MDL Number
MFCD08705262
PubChem SID
162234723
24885138
PubChem CID
13183249

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
673013 external link Add to cart Please log in.
Data Source Data ID
PubChem 13183249 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3112  LogD (pH = 7.4) 3.3112 
Log P 3.3112  Molar Refractivity 65.2853 cm3
Polarizability 26.989695 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)
Flash Point
-20 - -15 °C expand Show data source
-4 - 5 °F expand Show data source
Density
1.047 g/mL at 25 °C 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
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
Risk Statements
11-14-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-45 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
H225-H314-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 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
1.0 M in THF expand Show data source
Empirical Formula (Hill Notation)
C13H11BrMgO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 673013 external link
Packaging
50 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