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693-25-4 molecular structure
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bromo(pentyl)magnesium

ChemBase ID: 149935
Molecular Formular: C5H11BrMg
Molecular Mass: 175.34984
Monoisotopic Mass: 173.98945405
SMILES and InChIs

SMILES:
CCCCC[Mg]Br
Canonical SMILES:
CCCCC[Mg]Br
InChI:
InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h1,3-5H2,2H3;1H;/q;;+1/p-1
InChIKey:
ZXWGTPYWPZGZPT-UHFFFAOYSA-M

Cite this record

CBID:149935 http://www.chembase.cn/molecule-149935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(pentyl)magnesium
IUPAC Traditional name
bromo(pentyl)magnesium
Synonyms
Pentylmagnesium bromide solution
正戊基溴化镁 溶液
CAS Number
693-25-4
MDL Number
MFCD00000045
PubChem SID
162244097
24857502
PubChem CID
101838

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
290998 external link Add to cart Please log in.
Data Source Data ID
PubChem 101838 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1847  LogD (pH = 7.4) 2.1847 
Log P 2.1847  Molar Refractivity 32.9621 cm3
Polarizability 14.598391 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
-40 °C expand Show data source
-40 °F expand Show data source
Density
0.947 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
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
11-14/15-19-22-34-67 expand Show data source
Safety Statements
16-26-36/37/39-43-45 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-H250-H260-H302-H314-H336 expand Show data source
GHS Precautionary statements
P210-P222-P223-P231 + P232-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., Reacts violently with water. expand Show data source
Concentration
2.0 M in diethyl ether expand Show data source
Linear Formula
C5H11MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 290998 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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