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3315-91-1 molecular structure
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bromo(4-phenylphenyl)magnesium

ChemBase ID: 151844
Molecular Formular: C12H9BrMg
Molecular Mass: 257.40886
Monoisotopic Mass: 255.97380399
SMILES and InChIs

SMILES:
c1ccc(cc1)c1ccc(cc1)[Mg]Br
Canonical SMILES:
Br[Mg]c1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C12H9.BrH.Mg/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-10H;1H;/q;;+1/p-1
InChIKey:
NACCJOIEZISYCU-UHFFFAOYSA-M

Cite this record

CBID:151844 http://www.chembase.cn/molecule-151844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-phenylphenyl)magnesium
IUPAC Traditional name
bromo(4-phenylphenyl)magnesium
Synonyms
4-Biphenylmagnesium bromide solution
4-联苯溴化镁 溶液
CAS Number
3315-91-1
MDL Number
MFCD01311479
PubChem SID
24879996
162245990
PubChem CID
10978121

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
562009 external link Add to cart Please log in.
Data Source Data ID
PubChem 10978121 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4717  LogD (pH = 7.4) 3.4717 
Log P 3.4717  Molar Refractivity 59.3457 cm3
Polarizability 25.759935 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
65 °C expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.961 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) 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
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
Linear Formula
C6H5C6H4MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 562009 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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