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879-05-0 molecular structure
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bromo(pentafluorophenyl)magnesium

ChemBase ID: 150512
Molecular Formular: C6BrF5Mg
Molecular Mass: 271.265216
Monoisotopic Mass: 269.8953948
SMILES and InChIs

SMILES:
c1(c(c(c(c(c1F)F)[Mg]Br)F)F)F
Canonical SMILES:
Br[Mg]c1c(F)c(F)c(c(c1F)F)F
InChI:
InChI=1S/C6F5.BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;/h;1H;/q;;+1/p-1
InChIKey:
AXQVMJIDNDRSFM-UHFFFAOYSA-M

Cite this record

CBID:150512 http://www.chembase.cn/molecule-150512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(pentafluorophenyl)magnesium
IUPAC Traditional name
bromo(pentafluorophenyl)magnesium
Synonyms
Pentafluorophenylmagnesium bromide solution
五氟苯基溴化镁 溶液
CAS Number
879-05-0
MDL Number
MFCD00015720
Beilstein Number
3611565
PubChem SID
24867918
162244673
PubChem CID
3319152

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
442585 external link Add to cart Please log in.
Data Source Data ID
PubChem 3319152 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4848  LogD (pH = 7.4) 2.4848 
Log P 2.4848  Molar Refractivity 35.2915 cm3
Polarizability 14.75299 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)
Boiling Point
34.6 °C expand Show data source
Flash Point
-40 °C expand Show data source
-40 °F expand Show data source
Density
0.861 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Highly flammable Highly 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
1 expand Show data source
Risk Statements
12-14-19-22-34-67 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
H224-H302-H314-H336 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2924 3/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
0.5 M in diethyl ether expand Show data source
Linear Formula
C6F5MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 442585 external link
Packaging
100 mL in Sure/Seal™
Application
Employed in the synthesis of novel arsonic and arsinic acids as ligands for potential transition-metal ion extractants,1 and in the synthesis of polyfluoroaryl alkyl sulfides.2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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