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36637-44-2 molecular structure
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2-[4-(bromomagnesio)phenoxy]oxane

ChemBase ID: 151860
Molecular Formular: C11H13BrMgO2
Molecular Mass: 281.42872
Monoisotopic Mass: 279.99493336
SMILES and InChIs

SMILES:
c1cc(ccc1OC1CCCCO1)[Mg]Br
Canonical SMILES:
Br[Mg]c1ccc(cc1)OC1CCCCO1
InChI:
InChI=1S/C11H13O2.BrH.Mg/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h2-3,6-7,11H,4-5,8-9H2;1H;/q;;+1/p-1
InChIKey:
OHPUQUBYKZJOLY-UHFFFAOYSA-M

Cite this record

CBID:151860 http://www.chembase.cn/molecule-151860.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(bromomagnesio)phenoxy]oxane
IUPAC Traditional name
2-[4-(bromomagnesio)phenoxy]oxane
Synonyms
4-(2-Tetrahydro-2H-pyranoxy)phenylmagnesium bromide solution
4-(2-Tetrahydropyranyloxy)phenylmagnesium bromide, 0.5M in 2-MeTHF
4-(2-四氢-2H-吡喃氧代)苯基溴化镁 溶液
4-(2-四氢吡喃基氧)苯基溴化镁, 0.5M 2-甲基四氢呋喃溶液
CAS Number
36637-44-2
MDL Number
MFCD03427254
PubChem SID
162246006
24880020
PubChem CID
14519569

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14519569 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2297  LogD (pH = 7.4) 2.2297 
Log P 2.2297  Molar Refractivity 58.7062 cm3
Polarizability 24.846611 Å3 Polar Surface Area 18.46 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
<1.4 °F expand Show data source
<-17 °C expand Show data source
Density
0.961 g/mL at 25 °C expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2924 expand Show data source
UN2924 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
II expand Show data source
Risk Statements
11-14-19-34 expand Show data source
11-19-36/37 expand Show data source
Safety Statements
16-26 expand Show data source
8-16-26-36/37-39-43-45 expand Show data source
TSCA Listed
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
H224-H314-H318-EUH014 expand Show data source
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
0.5M in 2-MeTHF expand Show data source
Empirical Formula (Hill Notation)
C11H13BrMgO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 562246 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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