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13291-18-4 molecular structure
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bromo(prop-1-en-2-yl)magnesium

ChemBase ID: 147285
Molecular Formular: C3H5BrMg
Molecular Mass: 145.2808
Monoisotopic Mass: 143.94250386
SMILES and InChIs

SMILES:
CC(=C)[Mg]Br
Canonical SMILES:
CC(=C)[Mg]Br
InChI:
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1
InChIKey:
LFTYALBVGVNGLI-UHFFFAOYSA-M

Cite this record

CBID:147285 http://www.chembase.cn/molecule-147285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(prop-1-en-2-yl)magnesium
IUPAC Traditional name
bromo(prop-1-en-2-yl)magnesium
Synonyms
Isopropenylmagnesium bromide solution
异丙烯基溴化镁 溶液
CAS Number
13291-18-4
MDL Number
MFCD00192240
Beilstein Number
3587297
PubChem SID
24866260
162241475
PubChem CID
4187787

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4187787 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.666  LogD (pH = 7.4) 0.666 
Log P 0.666  Molar Refractivity 23.9432 cm3
Polarizability 10.756384 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
67 °C expand Show data source
Flash Point
2 °C expand Show data source
35.6 °F expand Show data source
36 °F expand Show data source
Density
0.935 g/mL at 25 °C expand Show data source
0.94 g/mL at 20 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
3399 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
11-14/15-34 expand Show data source
11-14-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
26-30-36/37/39-43.12-45-7/8 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), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3399 4.3/PG 1 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
0.5 M in THF expand Show data source
Linear Formula
CH2=C(CH3)MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 419567 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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