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307531-98-2 molecular structure
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chloro[(2-chloro-6-fluorophenyl)methyl]zinc

ChemBase ID: 93968
Molecular Formular: C7H5Cl2FZn
Molecular Mass: 244.3990032
Monoisotopic Mass: 241.90437574
SMILES and InChIs

SMILES:
Fc1cccc(c1C[Zn]Cl)Cl
Canonical SMILES:
Cl[Zn]Cc1c(F)cccc1Cl
InChI:
InChI=1S/C7H5ClF.ClH.Zn/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
InChIKey:
FJYMMQGYFJMZSE-UHFFFAOYSA-M

Cite this record

CBID:93968 http://www.chembase.cn/molecule-93968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(2-chloro-6-fluorophenyl)methyl]zinc
IUPAC Traditional name
chloro[(2-chloro-6-fluorophenyl)methyl]zinc
Synonyms
2-Chloro-6-fluorobenzylzinc chloride solution
2-Chloro-6-fluorobenzylzinc chloride
2-氯-6-氟苄基氯化锌 溶液
CAS Number
307531-98-2
MDL Number
MFCD02260133
PubChem SID
24878085
162080623
PubChem CID
2778146

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778146 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7145  LogD (pH = 7.4) 2.7145 
Log P 2.7145  Molar Refractivity 41.5224 cm3
Polarizability 19.096764 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
1 °F expand Show data source
-17 °C expand Show data source
Density
0.991 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
Harmful Harmful (Xn) expand Show data source
UN Number
2056 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-19-20/21/22-36/37 expand Show data source
Safety Statements
16-26-33-36/37 expand Show data source
RID/ADR
UN 2056 3/PG 2 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
ClC6H3(F)CH2ZnCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 535257 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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