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312693-08-6 molecular structure
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(3-fluoro-4-methylphenyl)(iodo)zinc

ChemBase ID: 98858
Molecular Formular: C7H6FIZn
Molecular Mass: 301.4054132
Monoisotopic Mass: 299.87896841
SMILES and InChIs

SMILES:
[Zn](c1cc(c(cc1)C)F)I
Canonical SMILES:
I[Zn]c1ccc(c(c1)F)C
InChI:
InChI=1S/C7H6F.HI.Zn/c1-6-4-2-3-5-7(6)8;;/h2,4-5H,1H3;1H;/q;;+1/p-1
InChIKey:
INCSRRSYPSYTPS-UHFFFAOYSA-M

Cite this record

CBID:98858 http://www.chembase.cn/molecule-98858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-fluoro-4-methylphenyl)(iodo)zinc
IUPAC Traditional name
(3-fluoro-4-methylphenyl)(iodo)zinc
Synonyms
3-Fluoro-4-methylphenylzinc iodide
3-Fluoro-4-methylphenylzinc iodide solution
3-Fluoro-4-methylphenylzinc iodide, 0.5M in THF
3-氟-4-甲基苯基碘化锌 溶液
CAS Number
312693-08-6
EC Number
203-726-8
MDL Number
MFCD01319870
PubChem SID
162085206
24873213
PubChem CID
2778510

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778510 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7975  LogD (pH = 7.4) 2.7975 
Log P 2.7975  Molar Refractivity 44.0727 cm3
Polarizability 20.385427 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
1 g/mL at 25 °C expand Show data source
Storage Warning
Air Sensitive expand Show data source
Flammable expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2056 expand Show data source
UN3399 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
4.3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-15-19-34-37 expand Show data source
11-19-36/37 expand Show data source
Safety Statements
16-29-33 expand Show data source
7/8-9-16-20-23-26-33-36/37/39-43-45-60 expand Show data source
TSCA Listed
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-H260-H314-H318-H335 expand Show data source
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2056 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Concentration
0.5 M in THF expand Show data source
0.5M in THF expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source
Linear Formula
FC6H3(CH3)ZnI expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498610 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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