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307496-33-9 molecular structure
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bromo[(2,6-difluorophenyl)methyl]zinc

ChemBase ID: 99298
Molecular Formular: C7H5BrF2Zn
Molecular Mass: 272.3954064
Monoisotopic Mass: 269.8834106
SMILES and InChIs

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

Cite this record

CBID:99298 http://www.chembase.cn/molecule-99298.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo[(2,6-difluorophenyl)methyl]zinc
IUPAC Traditional name
bromo[(2,6-difluorophenyl)methyl]zinc
Synonyms
2,6-Difluorobenzylzinc bromide 0.5M solution in THF
2,6-Difluorobenzylzinc bromide solution
2,6-二氟苄基溴化锌 溶液
CAS Number
307496-33-9
EC Number
203-726-8
MDL Number
MFCD01311421
PubChem SID
162085578
24874221
PubChem CID
2778650

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778650 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 18.073643 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
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.981 g/mL at 25 °C expand Show data source
Storage Warning
Flammable/Harmful expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2056 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
11-19-36/37 expand Show data source
Safety Statements
16-29-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2056 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
Linear Formula
F2C6H3CH2ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 521671 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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