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737797-28-3 molecular structure
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bromo(3,4-difluorophenyl)zinc

ChemBase ID: 100236
Molecular Formular: C6H3BrF2Zn
Molecular Mass: 258.3688264
Monoisotopic Mass: 255.86776054
SMILES and InChIs

SMILES:
Fc1c(ccc(c1)[Zn]Br)F
Canonical SMILES:
Br[Zn]c1ccc(c(c1)F)F
InChI:
InChI=1S/C6H3F2.BrH.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
InChIKey:
UJHOWEXFFHXINR-UHFFFAOYSA-M

Cite this record

CBID:100236 http://www.chembase.cn/molecule-100236.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(3,4-difluorophenyl)zinc
IUPAC Traditional name
bromo(3,4-difluorophenyl)zinc
Synonyms
3,4-Difluorophenylzinc bromide 0.5M solution in THF
3,4-Difluorophenylzinc bromide, 0.5M in THF
CAS Number
737797-28-3
MDL Number
MFCD02260154
PubChem SID
162086908
PubChem CID
24722621

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24722621 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4713  LogD (pH = 7.4) 2.4713 
Log P 2.4713  Molar Refractivity 34.6423 cm3
Polarizability 16.326202 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 Sensitive expand Show data source
Flammable expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN3399 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-15-19-34-37 expand Show data source
Safety Statements
7/8-9-16-20-23-26-33-36/37/39-43-45-60 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 Hazard statements
H224-H260-H314-H318-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
Concentration
0.5M in THF expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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