Home > Compound List > Compound details
312693-10-0 molecular structure
click picture or here to close

bromo(heptan-2-yl)zinc

ChemBase ID: 151020
Molecular Formular: C7H15BrZn
Molecular Mass: 244.478
Monoisotopic Mass: 241.96485448
SMILES and InChIs

SMILES:
CCCCCC(C)[Zn]Br
Canonical SMILES:
CCCCCC([Zn]Br)C
InChI:
InChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h3H,4-7H2,1-2H3;1H;/q;;+1/p-1
InChIKey:
MTLKPJLPSLVZEO-UHFFFAOYSA-M

Cite this record

CBID:151020 http://www.chembase.cn/molecule-151020.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(heptan-2-yl)zinc
IUPAC Traditional name
bromo(heptan-2-yl)zinc
Synonyms
1-Methylhexylzinc bromide solution
1-甲基己基溴化锌 溶液
CAS Number
312693-10-0
EC Number
203-726-8
MDL Number
MFCD01311413
PubChem SID
24873216
162245179
PubChem CID
4149405

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
498696 external link Add to cart Please log in.
Data Source Data ID
PubChem 4149405 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9589  LogD (pH = 7.4) 2.9589 
Log P 2.9589  Molar Refractivity 41.9541 cm3
Polarizability 19.701096 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
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.961 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
16-29-33 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
Concentration
0.5 M in THF expand Show data source
Linear Formula
CH3(CH2)4CH(CH3)ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498696 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle