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22649-70-3 molecular structure
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but-2-en-1-yl(chloro)magnesium

ChemBase ID: 146445
Molecular Formular: C4H7ClMg
Molecular Mass: 114.85638
Monoisotopic Mass: 114.0086696
SMILES and InChIs

SMILES:
C/C=C/C[Mg]Cl
Canonical SMILES:
C/C=C/C[Mg]Cl
InChI:
InChI=1S/C4H7.ClH.Mg/c1-3-4-2;;/h3-4H,1H2,2H3;1H;/q;;+1/p-1
InChIKey:
RTJGBPYEBKZQGE-UHFFFAOYSA-M

Cite this record

CBID:146445 http://www.chembase.cn/molecule-146445.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
but-2-en-1-yl(chloro)magnesium
IUPAC Traditional name
but-2-en-1-yl(chloro)magnesium
Synonyms
2-Butenylmagnesium chloride solution
2-丁烯基氯化镁 溶液
CAS Number
22649-70-3
MDL Number
MFCD01321226
PubChem SID
162240641
24866262
PubChem CID
6104506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
419583 external link Add to cart Please log in.
Data Source Data ID
PubChem 6104506 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3722  LogD (pH = 7.4) 1.3722 
Log P 1.3722  Molar Refractivity 26.7248 cm3
Polarizability 11.690219 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)
Density
0.921 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
14/15-19-20/21/22-34-37 expand Show data source
Safety Statements
26-36/37/39-43-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H314-H330-H335 expand Show data source
GHS Precautionary statements
P260-P280-P284-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 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
Concentration
0.5 M in THF expand Show data source
Linear Formula
CH3CH=CHCH2MgCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 419583 external link
Packaging
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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