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312693-11-1 molecular structure
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bromo(heptan-3-yl)zinc

ChemBase ID: 150732
Molecular Formular: C7H15BrZn
Molecular Mass: 244.478
Monoisotopic Mass: 241.96485448
SMILES and InChIs

SMILES:
CCCCC(CC)[Zn]Br
Canonical SMILES:
CCCCC([Zn]Br)CC
InChI:
InChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h5H,3-4,6-7H2,1-2H3;1H;/q;;+1/p-1
InChIKey:
FERNBKTUYZYISY-UHFFFAOYSA-M

Cite this record

CBID:150732 http://www.chembase.cn/molecule-150732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(heptan-3-yl)zinc
IUPAC Traditional name
bromo(heptan-3-yl)zinc
Synonyms
1-Ethylpentylzinc bromide solution
3-Heptylzinc bromide
1-Ethylpentylzinc bromide, 0.5M in THF
1-乙基戊基溴化锌 溶液
CAS Number
312693-11-1
EC Number
203-726-8
MDL Number
MFCD01311411
PubChem SID
24873217
162244893
PubChem CID
4646437

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4646437 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0312  LogD (pH = 7.4) 3.0312 
Log P 3.0312  Molar Refractivity 41.8771 cm3
Polarizability 19.7011 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
0.973 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
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
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 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
CH3(CH2)3CH(C2H5)ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498718 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

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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