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38769-92-5 molecular structure
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chloro[(4-methoxyphenyl)methyl]magnesium

ChemBase ID: 151846
Molecular Formular: C8H9ClMgO
Molecular Mass: 180.91446
Monoisotopic Mass: 180.01923429
SMILES and InChIs

SMILES:
COc1ccc(cc1)C[Mg]Cl
Canonical SMILES:
COc1ccc(cc1)C[Mg]Cl
InChI:
InChI=1S/C8H9O.ClH.Mg/c1-7-3-5-8(9-2)6-4-7;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
InChIKey:
XHDYUCUVUZSISM-UHFFFAOYSA-M

Cite this record

CBID:151846 http://www.chembase.cn/molecule-151846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(4-methoxyphenyl)methyl]magnesium
IUPAC Traditional name
chloro[(4-methoxyphenyl)methyl]magnesium
Synonyms
4-Methoxybenzylmagnesium chloride solution
3-Methoxybenzylmagnesium chloride, 0.25M in 2-MeTHF
4-Methoxybenzylmagnesium chloride, 0.25M in 2-MeTHF
4-甲氧基苄基氯化镁 溶液
3-甲氧基苄基氯化镁,1M 2-甲基四氢呋喃溶液
4-甲氧基苯基氯化镁, 0.25M 2-甲基四氢呋喃溶液
CAS Number
38769-92-5
26905-40-8
MDL Number
MFCD01319896
MFCD01311491
PubChem SID
24880000
162245992
PubChem CID
10965134

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10965134 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8043  LogD (pH = 7.4) 1.8043 
Log P 1.8043  Molar Refractivity 42.9644 cm3
Polarizability 18.523628 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)
Boiling Point
65 °C expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.914 g/mL at 25 °C expand Show data source
Storage Warning
Air & Moisture 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
2924 expand Show data source
UN2924 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
II expand Show data source
Risk Statements
11-14-19-34 expand Show data source
11-19-36/37 expand Show data source
Safety Statements
16-26 expand Show data source
8-16-26-36/37/39-45-60 expand Show data source
8-16-26-36/37-39-43-45 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-H314-H318-EUH014 expand Show data source
H225-H315-H318-H335 expand Show data source
H225-H318-H315-H313 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A expand Show data source
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
P210-P261-P280-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.25 M in THF expand Show data source
0.25M in 2-MeTHF expand Show data source
Linear Formula
CH3OC6H4CH2MgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 562033 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

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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