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7103-09-5 molecular structure
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bromo(but-3-en-1-yl)magnesium

ChemBase ID: 146708
Molecular Formular: C4H7BrMg
Molecular Mass: 159.30738
Monoisotopic Mass: 157.95815392
SMILES and InChIs

SMILES:
C=CCC[Mg]Br
Canonical SMILES:
Br[Mg]CCC=C
InChI:
InChI=1S/C4H7.BrH.Mg/c1-3-4-2;;/h3H,1-2,4H2;1H;/q;;+1/p-1
InChIKey:
SMLLHQBZPPSOSR-UHFFFAOYSA-M

Cite this record

CBID:146708 http://www.chembase.cn/molecule-146708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(but-3-en-1-yl)magnesium
IUPAC Traditional name
bromo(but-3-en-1-yl)magnesium
Synonyms
3-Butenylmagnesium bromide solution
3-丁烯基溴化镁 溶液
CAS Number
7103-09-5
MDL Number
MFCD00209554
PubChem SID
162240900
24866263
PubChem CID
3451969

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
419591 external link Add to cart Please log in.
Data Source Data ID
PubChem 3451969 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5733  LogD (pH = 7.4) 1.5733 
Log P 1.5733  Molar Refractivity 28.4052 cm3
Polarizability 12.542588 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
-22 °F expand Show data source
-30 °C expand Show data source
Density
0.937 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
1 expand Show data source
Risk Statements
11-14/15-19-36/37/38 expand Show data source
Safety Statements
16-26-43 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-H260-H314-H335 expand Show data source
GHS Precautionary statements
P210-P223-P231 + P232-P261-P370 + P378-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 3399 4.3/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
0.5 M in THF expand Show data source
Linear Formula
H2C=CHCH2CH2MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 419591 external link
Application
Synthetic building block that can undergo ring-formation reactions facilitated by ruthenium catalysts.
Used in a key diastereoselective step in the synthesis of (-)-muricatacin from L-tartaric acid.1
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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