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45438-80-0 molecular structure
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bromo(thiophen-2-yl)zinc

ChemBase ID: 146800
Molecular Formular: C4H3BrSZn
Molecular Mass: 228.41562
Monoisotopic Mass: 225.8430251
SMILES and InChIs

SMILES:
c1cc(sc1)[Zn]Br
Canonical SMILES:
Br[Zn]c1cccs1
InChI:
InChI=1S/C4H3S.BrH.Zn/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1
InChIKey:
KBBMRTYVFOYNIW-UHFFFAOYSA-M

Cite this record

CBID:146800 http://www.chembase.cn/molecule-146800.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(thiophen-2-yl)zinc
IUPAC Traditional name
bromo(thiophen-2-yl)zinc
Synonyms
2-Thienylzinc bromide solution
2-Thienylzinc bromide, 0.5M in THF
2-噻吩基溴化锌 溶液
CAS Number
45438-80-0
MDL Number
MFCD01317002
PubChem SID
162240992
24873279
PubChem CID
4428324

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4428324 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7862  LogD (pH = 7.4) 1.7862 
Log P 1.7862  Molar Refractivity 30.4752 cm3
Polarizability 15.366177 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
0 °F expand Show data source
-18 °C expand Show data source
Density
0.973 expand Show data source
0.973 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
Irritant Irritant (Xi) expand Show data source
UN Number
3399 expand Show data source
UN3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
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
11-19-36/37 expand Show data source
Safety Statements
16-29-33 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 Hazard statements
H224-H260-H314-H318-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
RID/ADR
UN 3399 4.3/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
0.5M in THF expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source
Empirical Formula (Hill Notation)
C4H3BrSZn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 499412 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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