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65032-27-1 molecular structure
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chloro(ethynyl)magnesium

ChemBase ID: 149602
Molecular Formular: C2HClMg
Molecular Mass: 84.78734
Monoisotopic Mass: 83.96171941
SMILES and InChIs

SMILES:
C#C[Mg]Cl
Canonical SMILES:
Cl[Mg]C#C
InChI:
InChI=1S/C2H.ClH.Mg/c1-2;;/h1H;1H;/q;;+1/p-1
InChIKey:
YEWNLGTVYUADOR-UHFFFAOYSA-M

Cite this record

CBID:149602 http://www.chembase.cn/molecule-149602.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro(ethynyl)magnesium
IUPAC Traditional name
chloro(ethynyl)magnesium
Synonyms
Ethynylmagnesium chloride solution
乙炔基氯化镁 溶液
CAS Number
65032-27-1
MDL Number
MFCD00075343
PubChem SID
24861377
162243765
PubChem CID
2734899

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
346160 external link Add to cart Please log in.
Data Source Data ID
PubChem 2734899 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5009  LogD (pH = 7.4) 0.5009 
Log P 0.5009  Molar Refractivity 13.1193 cm3
Polarizability 7.217802 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)
Flash Point
-16.6 °F expand Show data source
-27 °C expand Show data source
Density
0.921 g/mL at 25 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-19-36/37 expand Show data source
Safety Statements
16-26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 3399 4.3/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
0.5 M in THF expand Show data source
Linear Formula
CH≡CMgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 346160 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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