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90878-19-6 molecular structure
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chloro(2-phenylethyl)magnesium

ChemBase ID: 146947
Molecular Formular: C8H9ClMg
Molecular Mass: 164.91506
Monoisotopic Mass: 164.02431967
SMILES and InChIs

SMILES:
c1ccc(cc1)CC[Mg]Cl
Canonical SMILES:
Cl[Mg]CCc1ccccc1
InChI:
InChI=1S/C8H9.ClH.Mg/c1-2-8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q;;+1/p-1
InChIKey:
AZORNQXQALOFHH-UHFFFAOYSA-M

Cite this record

CBID:146947 http://www.chembase.cn/molecule-146947.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro(2-phenylethyl)magnesium
IUPAC Traditional name
chloro(2-phenylethyl)magnesium
Synonyms
Phenethylmagnesium chloride solution
苯乙基氯化镁 溶液
CAS Number
90878-19-6
MDL Number
MFCD00192387
PubChem SID
162241139
24866584
PubChem CID
4671868

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
424684 external link Add to cart Please log in.
Data Source Data ID
PubChem 4671868 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3087  LogD (pH = 7.4) 2.3087 
Log P 2.3087  Molar Refractivity 41.2562 cm3
Polarizability 17.758358 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
0.954 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 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
Risk Statements
11-14/15-19-20/21/22-34-37 expand Show data source
Safety Statements
16-26-36/37/39-43-45 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
H225-H314-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
1.0 M in THF expand Show data source
Linear Formula
C6H5CH2CH2MgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 424684 external link
Packaging
100, 800 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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