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35166-78-0 molecular structure
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bromo(cyclohexylmethyl)magnesium

ChemBase ID: 140529
Molecular Formular: C7H13BrMg
Molecular Mass: 201.38712
Monoisotopic Mass: 200.00510412
SMILES and InChIs

SMILES:
C1CCC(CC1)C[Mg]Br
Canonical SMILES:
Br[Mg]CC1CCCCC1
InChI:
InChI=1S/C7H13.BrH.Mg/c1-7-5-3-2-4-6-7;;/h7H,1-6H2;1H;/q;;+1/p-1
InChIKey:
ZBCIOGFGZRNNEC-UHFFFAOYSA-M

Cite this record

CBID:140529 http://www.chembase.cn/molecule-140529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(cyclohexylmethyl)magnesium
IUPAC Traditional name
bromo(cyclohexylmethyl)magnesium
Synonyms
(Cyclohexylmethyl)magnesium bromide solution
(环己基甲基)溴化镁
CAS Number
35166-78-0
MDL Number
MFCD02260210
PubChem SID
162234773
PubChem CID
10932511

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
687952 external link Add to cart Please log in.
Data Source Data ID
PubChem 10932511 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4798  LogD (pH = 7.4) 2.4798 
Log P 2.4798  Molar Refractivity 40.2325 cm3
Polarizability 17.520615 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)
Flash Point
-20 °C expand Show data source
-4 °F expand Show data source
Density
0.966 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
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-H302-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
Empirical Formula (Hill Notation)
C7H13BrMg expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 687952 external link
Packaging
50 mL in Sure/Seal™
Application
Reactant involved in:
• Isomerization polymerization of alkenylcyclohexanes1
• Intramolecular rearrangements of vinylidenecyclopropanes2
• Cycloisomerization of cyclic and acyclic enynes3Additionally reactant involved in synthesis of biologically active molecules including:
• Dipeptidyl boronic acid proteasome inhibitors4
• Substituted 1,3-dihydroindole-2-ones with antitumor effects5
• Sulfur-free transition state nucleoside analog inhibitors of methylthioadenosine nucleosidase and phosphorylase6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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