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63488-10-8 molecular structure
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bromo(4-tert-butylphenyl)magnesium

ChemBase ID: 142524
Molecular Formular: C10H13BrMg
Molecular Mass: 237.41922
Monoisotopic Mass: 236.00510412
SMILES and InChIs

SMILES:
CC(C)(C)c1ccc(cc1)[Mg]Br
Canonical SMILES:
Br[Mg]c1ccc(cc1)C(C)(C)C
InChI:
InChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q;;+1/p-1
InChIKey:
YECFWFOEQLAVNH-UHFFFAOYSA-M

Cite this record

CBID:142524 http://www.chembase.cn/molecule-142524.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-tert-butylphenyl)magnesium
IUPAC Traditional name
bromo(4-tert-butylphenyl)magnesium
Synonyms
4-tert-Butylphenylmagnesium bromide solution
4-叔丁基苯基溴化镁 溶液
CAS Number
63488-10-8
MDL Number
MFCD00013244
PubChem SID
24859458
162236753
PubChem CID
4608371

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4608371 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4145  LogD (pH = 7.4) 3.4145 
Log P 3.4145  Molar Refractivity 52.8754 cm3
Polarizability 22.174051 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/760 mmHg expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
-22 °C expand Show data source
-8 °F expand Show data source
Density
0.952 g/mL at 25 °C expand Show data source
1.065 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
Highly flammable Highly flammable (F+) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-14-17-19-34-37 expand Show data source
12-14-20/21/22-34-40 expand Show data source
Safety Statements
16-26-33-36/37/39-45 expand Show data source
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-H250-H261-H314-H335 expand Show data source
GHS Precautionary statements
P210-P222-P231 + P232-P261-P280-P422 expand Show data source
RID/ADR
UN 2924 3/PG 1 expand Show data source
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
0.5 M in THF expand Show data source
2.0 M in diethyl ether expand Show data source
Linear Formula
(CH3)3CC6H4MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 324655 external link
Packaging
50 mL in Sure/Seal™
Sigma Aldrich - 706507 external link
Packaging
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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