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257876-05-4 molecular structure
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bromo(5-methylpyridin-2-yl)zinc

ChemBase ID: 148612
Molecular Formular: C6H6BrNZn
Molecular Mass: 237.40254
Monoisotopic Mass: 234.8975032
SMILES and InChIs

SMILES:
Cc1ccc(nc1)[Zn]Br
Canonical SMILES:
Br[Zn]c1ccc(cn1)C
InChI:
InChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-3,5H,1H3;1H;/q;;+1/p-1
InChIKey:
ZWOPKPFXOHYOBO-UHFFFAOYSA-M

Cite this record

CBID:148612 http://www.chembase.cn/molecule-148612.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(5-methylpyridin-2-yl)zinc
IUPAC Traditional name
bromo(5-methylpyridin-2-yl)zinc
Synonyms
5-Methyl-2-pyridylzinc bromide solution
5-甲基-2-吡啶溴化锌 溶液
CAS Number
257876-05-4
MDL Number
MFCD01311463
PubChem SID
162242787
24873246
PubChem CID
6411545

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
499005 external link Add to cart Please log in.
Data Source Data ID
PubChem 6411545 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4677808  LogD (pH = 7.4) 2.030562 
Log P 2.0462  Molar Refractivity 37.4073 cm3
Polarizability 17.403957 Å3 Polar Surface Area 12.89 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
0.959 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
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-19-37-41 expand Show data source
Safety Statements
16-26-39 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-H315-H318-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338 expand Show data source
RID/ADR
UN 3399 4.3/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
Empirical Formula (Hill Notation)
C6H6BrNZn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 499005 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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