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23719-80-4 molecular structure
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bromo(cyclopropyl)magnesium

ChemBase ID: 147615
Molecular Formular: C3H5BrMg
Molecular Mass: 145.2808
Monoisotopic Mass: 143.94250386
SMILES and InChIs

SMILES:
C1CC1[Mg]Br
Canonical SMILES:
Br[Mg]C1CC1
InChI:
InChI=1S/C3H5.BrH.Mg/c1-2-3-1;;/h1H,2-3H2;1H;/q;;+1/p-1
InChIKey:
QUPLLJGAJVXXBW-UHFFFAOYSA-M

Cite this record

CBID:147615 http://www.chembase.cn/molecule-147615.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(cyclopropyl)magnesium
IUPAC Traditional name
bromo(cyclopropyl)magnesium
Synonyms
Cyclopropylmagnesium bromide solution
环丙基溴化镁 溶液
CAS Number
23719-80-4
MDL Number
MFCD00672094
PubChem SID
24874579
162241802
PubChem CID
11116189

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
526797 external link Add to cart Please log in.
Data Source Data ID
PubChem 11116189 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.942  LogD (pH = 7.4) 0.942 
Log P 0.942  Molar Refractivity 21.6709 cm3
Polarizability 10.335979 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 °F expand Show data source
-17 °C expand Show data source
Density
0.968 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
1 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14-19-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
RID/ADR
UN 3399 4.3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
Empirical Formula (Hill Notation)
C3H5BrMg expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 526797 external link
Packaging
25, 100, 800 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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