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480424-75-7 molecular structure
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4-{[4-(bromomagnesio)phenyl]methyl}morpholine

ChemBase ID: 151547
Molecular Formular: C11H14BrMgNO
Molecular Mass: 280.44396
Monoisotopic Mass: 279.01091777
SMILES and InChIs

SMILES:
c1cc(ccc1CN1CCOCC1)[Mg]Br
Canonical SMILES:
Br[Mg]c1ccc(cc1)CN1CCOCC1
InChI:
InChI=1S/C11H14NO.BrH.Mg/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h2-5H,6-10H2;1H;/q;;+1/p-1
InChIKey:
OFPHGAKUXVPRKI-UHFFFAOYSA-M

Cite this record

CBID:151547 http://www.chembase.cn/molecule-151547.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{[4-(bromomagnesio)phenyl]methyl}morpholine
IUPAC Traditional name
4-{[4-(bromomagnesio)phenyl]methyl}morpholine
Synonyms
[4-(4-Morpholinylmethyl)phenyl]magnesium bromide solution
[4-(4-吗啉甲基)苯基]溴化镁 溶液
CAS Number
480424-75-7
MDL Number
MFCD03840890
PubChem SID
24880610
162245700
PubChem CID
24722692

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
571121 external link Add to cart Please log in.
Data Source Data ID
PubChem 24722692 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 1.3316  Molar Refractivity 61.8267 cm3
Polarizability 25.63356 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -0.038480878  LogD (pH = 7.4) 1.2231927 

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
0.926 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
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14-19-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.25 M in THF expand Show data source
Linear Formula
C6H4CH2NOC4H8MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 571121 external link
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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