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288309-53-5 molecular structure
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(3-cyanophenyl)(iodo)zinc

ChemBase ID: 148427
Molecular Formular: C7H4INZn
Molecular Mass: 294.39783
Monoisotopic Mass: 292.86798913
SMILES and InChIs

SMILES:
c1cc(cc(c1)[Zn]I)C#N
Canonical SMILES:
I[Zn]c1cccc(c1)C#N
InChI:
InChI=1S/C7H4N.HI.Zn/c8-6-7-4-2-1-3-5-7;;/h1-2,4-5H;1H;/q;;+1/p-1
InChIKey:
MWVOJRQBIBGPBW-UHFFFAOYSA-M

Cite this record

CBID:148427 http://www.chembase.cn/molecule-148427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-cyanophenyl)(iodo)zinc
IUPAC Traditional name
(3-cyanophenyl)(iodo)zinc
Synonyms
3-Cyanophenylzinc iodide solution
3-氰苯基碘化锌 溶液
CAS Number
288309-53-5
MDL Number
MFCD01316998
PubChem SID
24873157
162242603
PubChem CID
3294376

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
497940 external link Add to cart Please log in.
Data Source Data ID
PubChem 3294376 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0058  LogD (pH = 7.4) 2.0058 
Log P 2.0058  Molar Refractivity 44.5367 cm3
Polarizability 20.630207 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
1 °F expand Show data source
-17 °C expand Show data source
Density
0.998 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
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14-19-22-36/37/38-40 expand Show data source
Safety Statements
16-26-33-36 expand Show data source
RID/ADR
UN 3399 4.3/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
NCC6H4ZnI expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 497940 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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