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307531-80-2 molecular structure
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chloro[(2,6-dichlorophenyl)methyl]zinc

ChemBase ID: 150080
Molecular Formular: C7H5Cl3Zn
Molecular Mass: 260.8536
Monoisotopic Mass: 257.8748252
SMILES and InChIs

SMILES:
c1cc(c(c(c1)Cl)C[Zn]Cl)Cl
Canonical SMILES:
Cl[Zn]Cc1c(Cl)cccc1Cl
InChI:
InChI=1S/C7H5Cl2.ClH.Zn/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
InChIKey:
NEPYXTRQHMZQAE-UHFFFAOYSA-M

Cite this record

CBID:150080 http://www.chembase.cn/molecule-150080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(2,6-dichlorophenyl)methyl]zinc
IUPAC Traditional name
chloro[(2,6-dichlorophenyl)methyl]zinc
Synonyms
2,6-Dichlorobenzylzinc chloride solution
2,6-二氯苄基氯化锌 溶液
CAS Number
307531-80-2
MDL Number
MFCD02260134
PubChem SID
24877956
162244242
PubChem CID
24722608

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
533351 external link Add to cart Please log in.
Data Source Data ID
PubChem 24722608 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.093  LogD (pH = 7.4) 3.093 
Log P 3.093  Molar Refractivity 46.1108 cm3
Polarizability 21.226128 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
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.991 g/mL at 25 °C 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
Cl2C6H3CH2ZnCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 533351 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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