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312693-07-5 molecular structure
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chloro[(4-fluorophenyl)methyl]zinc

ChemBase ID: 94443
Molecular Formular: C7H6ClFZn
Molecular Mass: 209.9539432
Monoisotopic Mass: 207.94334809
SMILES and InChIs

SMILES:
[Zn](Cc1ccc(cc1)F)Cl
Canonical SMILES:
Cl[Zn]Cc1ccc(cc1)F
InChI:
InChI=1S/C7H6F.ClH.Zn/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKey:
STBQRATYGMXEHR-UHFFFAOYSA-M

Cite this record

CBID:94443 http://www.chembase.cn/molecule-94443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(4-fluorophenyl)methyl]zinc
IUPAC Traditional name
chloro[(4-fluorophenyl)methyl]zinc
Synonyms
4-Fluorobenzylzinc chloride solution
4-Fluorobenzylzinc chloride, 0.5M in THF
4-Fluorobenzylzinc chloride
4-氟苄基氯化锌 溶液
CAS Number
312693-07-5
MDL Number
MFCD01319879
PubChem SID
24873212
162081097
PubChem CID
2778179

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778179 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1965  LogD (pH = 7.4) 2.1965 
Log P 2.1965  Molar Refractivity 36.7176 cm3
Polarizability 17.107176 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)
Density
0.952 expand Show data source
0.952 g/mL at 25 °C expand Show data source
Storage Warning
Air Sensitive expand Show data source
Flammable expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) 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
11-15-19-34-37 expand Show data source
19-36/37 expand Show data source
Safety Statements
26 expand Show data source
7/8-9-16-20-23-26-33-36/37/39-43-45-60 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
Warning expand Show data source
GHS Hazard statements
H224-H260-H314-H318-H335 expand Show data source
H319-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
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
FC6H4CH2ZnCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498602 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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