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149923-10-4 molecular structure
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chloro[(4-chlorophenyl)methyl]zinc

ChemBase ID: 149382
Molecular Formular: C7H6Cl2Zn
Molecular Mass: 226.40854
Monoisotopic Mass: 223.91379755
SMILES and InChIs

SMILES:
c1cc(ccc1C[Zn]Cl)Cl
Canonical SMILES:
Cl[Zn]Cc1ccc(cc1)Cl
InChI:
InChI=1S/C7H6Cl.ClH.Zn/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKey:
JIWPVHAJWTWEJB-UHFFFAOYSA-M

Cite this record

CBID:149382 http://www.chembase.cn/molecule-149382.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(4-chlorophenyl)methyl]zinc
IUPAC Traditional name
chloro[(4-chlorophenyl)methyl]zinc
Synonyms
4-Chlorobenzylzinc chloride solution
4-Chlorobenzylzinc chloride, 0.5M in THF
4-氯苄基氯化锌 溶液
CAS Number
149923-10-4
MDL Number
MFCD01319882
PubChem SID
162243548
24873142
PubChem CID
3451123

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3451123 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.575  LogD (pH = 7.4) 2.575 
Log P 2.575  Molar Refractivity 41.306 cm3
Polarizability 19.248209 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
0.96 expand Show data source
0.96 g/mL at 25 °C expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2056 expand Show data source
UN3399 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
4.3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-14-19-34 expand Show data source
11-14-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
8-16-26-30-33-36/37/39-45-60 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 Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H261-H314 expand Show data source
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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
0.5M in THF expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source
Linear Formula
ClC6H4CH2ZnCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 497762 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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