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87942-08-3 molecular structure
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bromo(4-propylphenyl)magnesium

ChemBase ID: 151806
Molecular Formular: C9H11BrMg
Molecular Mass: 223.39264
Monoisotopic Mass: 221.98945405
SMILES and InChIs

SMILES:
CCCc1ccc(cc1)[Mg]Br
Canonical SMILES:
CCCc1ccc(cc1)[Mg]Br
InChI:
InChI=1S/C9H11.BrH.Mg/c1-2-6-9-7-4-3-5-8-9;;/h4-5,7-8H,2,6H2,1H3;1H;/q;;+1/p-1
InChIKey:
HFPDWJMICZDKNO-UHFFFAOYSA-M

Cite this record

CBID:151806 http://www.chembase.cn/molecule-151806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-propylphenyl)magnesium
IUPAC Traditional name
bromo(4-propylphenyl)magnesium
Synonyms
4-n-Propylphenylmagnesium bromide solution
4-正丙基苯基溴化镁 溶液
CAS Number
87942-08-3
MDL Number
MFCD01311466
PubChem SID
24880125
162245952
PubChem CID
15268794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
563730 external link Add to cart Please log in.
Data Source Data ID
PubChem 15268794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0471  LogD (pH = 7.4) 3.0471 
Log P 3.0471  Molar Refractivity 48.4527 cm3
Polarizability 20.350363 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
65-67 °C(lit.) expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.940 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
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-45 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-H314-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
Linear Formula
C6H4CH2CH2CH3MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 563730 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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