Home > Compound List > Compound details
300825-30-3 molecular structure
click picture or here to close

iodo(3-methoxyphenyl)zinc

ChemBase ID: 150042
Molecular Formular: C7H7IOZn
Molecular Mass: 299.41435
Monoisotopic Mass: 297.88330484
SMILES and InChIs

SMILES:
COc1cccc(c1)[Zn]I
Canonical SMILES:
COc1cccc(c1)[Zn]I
InChI:
InChI=1S/C7H7O.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1
InChIKey:
MOQAKUROLWSLJZ-UHFFFAOYSA-M

Cite this record

CBID:150042 http://www.chembase.cn/molecule-150042.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iodo(3-methoxyphenyl)zinc
IUPAC Traditional name
iodo(3-methoxyphenyl)zinc
Synonyms
3-Methoxyphenylzinc iodide solution
3-Methoxyphenylzinc iodide, 0.5M in THF
3-甲氧基苯基碘化锌 溶液
CAS Number
300825-30-3
MDL Number
MFCD01311443
PubChem SID
24873230
162244204
PubChem CID
4191416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4191416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9381  LogD (pH = 7.4) 1.9381 
Log P 1.9381  Molar Refractivity 45.2783 cm3
Polarizability 21.32096 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
0.999 expand Show data source
0.999 g/mL at 25 °C expand Show data source
Storage Warning
Air Sensitive 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
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
11-19-36/37/38 expand Show data source
Safety Statements
16-26-29-33 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 Hazard statements
H224-H260-H314-H318-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501 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
0.5M in THF expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source
Linear Formula
CH3OC6H4ZnI expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498831 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle