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107549-26-8 molecular structure
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bromo[(2,6-difluorophenyl)methyl]magnesium

ChemBase ID: 298550
Molecular Formular: C7H5BrF2Mg
Molecular Mass: 231.3204064
Monoisotopic Mass: 229.9393103
SMILES and InChIs

SMILES:
c1cc(c(c(c1)F)C[Mg]Br)F
Canonical SMILES:
Br[Mg]Cc1c(F)cccc1F
InChI:
InChI=1S/C7H5F2.BrH.Mg/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
InChIKey:
KEOOIBWMYNKEEF-UHFFFAOYSA-M

Cite this record

CBID:298550 http://www.chembase.cn/molecule-298550.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo[(2,6-difluorophenyl)methyl]magnesium
IUPAC Traditional name
bromo[(2,6-difluorophenyl)methyl]magnesium
Synonyms
2,6-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF
2,6-二氟苄基溴化镁, 0.25M 2-MeTHF 溶液
CAS Number
107549-26-8
MDL Number
MFCD11113508
PubChem SID
180684081
PubChem CID
73995681

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 73995681 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6366  LogD (pH = 7.4) 2.6366 
Log P 2.6366  Molar Refractivity 39.5329 cm3
Polarizability 16.494572 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
UN Number
UN2924 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-14-19-34 expand Show data source
Safety Statements
8-9-16-26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Hazard statements
H225-H314-H313 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Concentration
0.25M in 2-MeTHF expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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