Home > Compound List > Compound details
352534-75-9 molecular structure
click picture or here to close

bromo[(pentafluorophenyl)methyl]zinc

ChemBase ID: 95062
Molecular Formular: C7H2BrF5Zn
Molecular Mass: 326.366796
Monoisotopic Mass: 323.85514516
SMILES and InChIs

SMILES:
[Zn](Cc1c(c(c(c(c1F)F)F)F)F)Br
Canonical SMILES:
Br[Zn]Cc1c(F)c(F)c(c(c1F)F)F
InChI:
InChI=1S/C7H2F5.BrH.Zn/c1-2-3(8)5(10)7(12)6(11)4(2)9;;/h1H2;1H;/q;;+1/p-1
InChIKey:
WAKJCJJTVRCONB-UHFFFAOYSA-M

Cite this record

CBID:95062 http://www.chembase.cn/molecule-95062.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo[(pentafluorophenyl)methyl]zinc
IUPAC Traditional name
bromo[(pentafluorophenyl)methyl]zinc
Synonyms
Pentafluorobenzylzinc bromide
2,3,4,5,6-Pentafluorobenzylzinc bromide solution
2,3,4,5,6-五氟苄基溴化锌 溶液
CAS Number
352534-75-9
MDL Number
MFCD01311425
PubChem SID
162081713
24878529
PubChem CID
2778249

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778249 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0551  LogD (pH = 7.4) 3.0551 
Log P 3.0551  Molar Refractivity 40.1821 cm3
Polarizability 18.073954 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 °C expand Show data source
Flash Point
17 °C expand Show data source
62.6 °F expand Show data source
Density
1.018 g/mL at 25 °C expand Show data source
Storage Warning
Flammable 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
16-26 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
C6F5CH2ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 541273 external link
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke ® Metals, Inc. ®Registered trademark of Rieke Metals, Inc.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle