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312693-44-0 molecular structure
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bromo(4-phenylphenyl)zinc

ChemBase ID: 145188
Molecular Formular: C12H9BrZn
Molecular Mass: 298.48386
Monoisotopic Mass: 295.91790429
SMILES and InChIs

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

Cite this record

CBID:145188 http://www.chembase.cn/molecule-145188.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-phenylphenyl)zinc
IUPAC Traditional name
bromo(4-phenylphenyl)zinc
Synonyms
4-Biphenylzinc bromide solution
4-联苯溴化锌 溶液
CAS Number
312693-44-0
MDL Number
MFCD02093780
PubChem SID
24874440
162239398
PubChem CID
24722605

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
524727 external link Add to cart Please log in.
Data Source Data ID
PubChem 24722605 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8767  LogD (pH = 7.4) 3.8767 
Log P 3.8767  Molar Refractivity 59.3457 cm3
Polarizability 27.093058 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 °F expand Show data source
-17 °C expand Show data source
Density
0.994 g/mL at 25 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2056 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
14-19-22-36/38 expand Show data source
Safety Statements
16-26-33-36 expand Show data source
RID/ADR
UN 2056 3/PG 2 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
C6H5C6H4ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 524727 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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