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7608-06-2 molecular structure
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bromo(heptyl)zinc

ChemBase ID: 149579
Molecular Formular: C7H15BrZn
Molecular Mass: 244.478
Monoisotopic Mass: 241.96485448
SMILES and InChIs

SMILES:
CCCCCCC[Zn]Br
Canonical SMILES:
CCCCCCC[Zn]Br
InChI:
InChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h1,3-7H2,2H3;1H;/q;;+1/p-1
InChIKey:
VXDZQIGAXDFZGH-UHFFFAOYSA-M

Cite this record

CBID:149579 http://www.chembase.cn/molecule-149579.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(heptyl)zinc
IUPAC Traditional name
bromo(heptyl)zinc
Synonyms
Heptylzinc bromide solution
庚锌溴 溶液
CAS Number
7608-06-2
MDL Number
MFCD02260126
PubChem SID
162243742
24877950
PubChem CID
24722606

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
533270 external link Add to cart Please log in.
Data Source Data ID
PubChem 24722606 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9773  LogD (pH = 7.4) 2.9773 
Log P 2.9773  Molar Refractivity 42.1641 cm3
Polarizability 19.700968 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)
Boiling Point
65 °C expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.965 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
2056 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
Packing Group
2 expand Show data source
Risk Statements
11-19-36/37 expand Show data source
Safety Statements
16-26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H319-H335 expand Show data source
GHS Precautionary statements
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
Linear Formula
CH3(CH2)6ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 533270 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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