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21450-90-8 molecular structure
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bromo(2-methylnaphthalen-1-yl)magnesium

ChemBase ID: 151803
Molecular Formular: C11H9BrMg
Molecular Mass: 245.39816
Monoisotopic Mass: 243.97380399
SMILES and InChIs

SMILES:
Cc1ccc2ccccc2c1[Mg]Br
Canonical SMILES:
Br[Mg]c1c(C)ccc2c1cccc2
InChI:
InChI=1S/C11H9.BrH.Mg/c1-9-6-7-10-4-2-3-5-11(10)8-9;;/h2-7H,1H3;1H;/q;;+1/p-1
InChIKey:
FRKJGFAPMOHVAM-UHFFFAOYSA-M

Cite this record

CBID:151803 http://www.chembase.cn/molecule-151803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(2-methylnaphthalen-1-yl)magnesium
IUPAC Traditional name
bromo(2-methylnaphthalen-1-yl)magnesium
Synonyms
2-Methyl-1-naphthylmagnesium bromide
2-甲基-1-萘基溴化镁
CAS Number
21450-90-8
MDL Number
MFCD01311486
PubChem SID
162245949
24880122
PubChem CID
11791449

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
563692 external link Add to cart Please log in.
Data Source Data ID
PubChem 11791449 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2567  LogD (pH = 7.4) 3.2567 
Log P 3.2567  Molar Refractivity 55.7009 cm3
Polarizability 24.084183 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(lit.) expand Show data source
Flash Point
1 °F expand Show data source
-17 °C expand Show data source
Density
0.921 g/mL at 25 °C(lit.) 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
11-14-19-22-34 expand Show data source
Safety Statements
16-26-33-36/37/39-45 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
C10H6CH3MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 563692 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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