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29875-05-6 molecular structure
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chloro[(2-methylphenyl)methyl]magnesium

ChemBase ID: 151856
Molecular Formular: C8H9ClMg
Molecular Mass: 164.91506
Monoisotopic Mass: 164.02431967
SMILES and InChIs

SMILES:
Cc1ccccc1C[Mg]Cl
Canonical SMILES:
Cl[Mg]Cc1ccccc1C
InChI:
InChI=1S/C8H9.ClH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
InChIKey:
YPJGFXMVFBGFBS-UHFFFAOYSA-M

Cite this record

CBID:151856 http://www.chembase.cn/molecule-151856.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(2-methylphenyl)methyl]magnesium
IUPAC Traditional name
chloro[(2-methylphenyl)methyl]magnesium
Synonyms
2-Methylbenzylmagnesium chloride solution
2-Methylbenzylmagnesium chloride, 0.25M in 2-MeTHF
2-甲基苄基氯化镁 溶液
2-甲基苯基氯化镁,0.25M 2-甲基四氢呋喃溶液
CAS Number
29875-05-6
MDL Number
MFCD01319904
PubChem SID
162246002
24880013
PubChem CID
122498

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 122498 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5242  LogD (pH = 7.4) 2.5242 
Log P 2.5242  Molar Refractivity 41.5424 cm3
Polarizability 17.759964 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
Density
0.920 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
Highly flammable Highly flammable (F+) 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
1 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
12-14-19-22-34-40 expand Show data source
Safety Statements
16-23-26-36/37/39-45 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
GHS Hazard statements
H224-H314-H318-EUH014 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
RID/ADR
UN 2924 3/PG 2 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
H3CC6H4CH2MgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 562173 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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