Home > Compound List > Compound details
312693-14-4 molecular structure
click picture or here to close

bromo(hexan-3-yl)zinc

ChemBase ID: 150240
Molecular Formular: C6H13BrZn
Molecular Mass: 230.45142
Monoisotopic Mass: 227.94920442
SMILES and InChIs

SMILES:
CCCC(CC)[Zn]Br
Canonical SMILES:
CCCC([Zn]Br)CC
InChI:
InChI=1S/C6H13.BrH.Zn/c1-3-5-6-4-2;;/h5H,3-4,6H2,1-2H3;1H;/q;;+1/p-1
InChIKey:
PZRAJMSAPZHBEW-UHFFFAOYSA-M

Cite this record

CBID:150240 http://www.chembase.cn/molecule-150240.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(hexan-3-yl)zinc
IUPAC Traditional name
bromo(hexan-3-yl)zinc
Synonyms
1-Ethylbutylzinc bromide solution
1-乙基丁基溴化锌 溶液
CAS Number
312693-14-4
EC Number
203-726-8
MDL Number
MFCD01311412
PubChem SID
24873222
162244401
PubChem CID
3590917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
498750 external link Add to cart Please log in.
Data Source Data ID
PubChem 3590917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6349  LogD (pH = 7.4) 2.6349 
Log P 2.6349  Molar Refractivity 37.2761 cm3
Polarizability 17.907015 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
0.968 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
11-19-36/37 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 3399 4.3/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
CH3CH2CH2CH(C2H5)ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498750 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