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308795-98-4 molecular structure
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bromo(6-methylpyridin-2-yl)zinc

ChemBase ID: 148804
Molecular Formular: C6H6BrNZn
Molecular Mass: 237.40254
Monoisotopic Mass: 234.8975032
SMILES and InChIs

SMILES:
Cc1cccc(n1)[Zn]Br
Canonical SMILES:
Br[Zn]c1cccc(n1)C
InChI:
InChI=1S/C6H6N.BrH.Zn/c1-6-4-2-3-5-7-6;;/h2-4H,1H3;1H;/q;;+1/p-1
InChIKey:
PHXNJPJTSMRASQ-UHFFFAOYSA-M

Cite this record

CBID:148804 http://www.chembase.cn/molecule-148804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(6-methylpyridin-2-yl)zinc
IUPAC Traditional name
bromo(6-methylpyridin-2-yl)zinc
Synonyms
6-Methyl-2-pyridylzinc bromide solution
6-Methyl-2-pyridylzinc bromide, 0.5M in THF
6-甲基-2-吡啶溴化锌 溶液
CAS Number
308795-98-4
EC Number
203-726-8
MDL Number
MFCD01311462
PubChem SID
162242978
24873247
PubChem CID
16132943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16132943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9681546  LogD (pH = 7.4) 1.7223871 
Log P 1.7496  Molar Refractivity 36.9576 cm3
Polarizability 17.404232 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
0.996 expand Show data source
0.996 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
3 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 Signal Word
Danger expand Show data source
GHS Hazard statements
H224-H260-H314-H318-H335 expand Show data source
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
P210-P261-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
0.5M in THF expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source
Empirical Formula (Hill Notation)
C6H6BrNZn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 499013 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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