Home > Compound List > Compound details
193065-68-8 molecular structure
click picture or here to close

ethyl 3-(bromozincio)propanoate

ChemBase ID: 151181
Molecular Formular: C5H9BrO2Zn
Molecular Mass: 246.40776
Monoisotopic Mass: 243.90773353
SMILES and InChIs

SMILES:
CCOC(=O)CC[Zn]Br
Canonical SMILES:
CCOC(=O)CC[Zn]Br
InChI:
InChI=1S/C5H9O2.BrH.Zn/c1-3-5(6)7-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1
InChIKey:
XLKAROLEWCMBDC-UHFFFAOYSA-M

Cite this record

CBID:151181 http://www.chembase.cn/molecule-151181.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-(bromozincio)propanoate
IUPAC Traditional name
ethyl 3-(bromozincio)propanoate
Synonyms
3-Ethoxy-3-oxopropylzinc bromide solution
3-乙氧基-3-氧丙基溴化锌 溶液
CAS Number
193065-68-8
MDL Number
MFCD00671976
PubChem SID
24873205
162245338
PubChem CID
3332879

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
498521 external link Add to cart Please log in.
Data Source Data ID
PubChem 3332879 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6783  LogD (pH = 7.4) 0.6783 
Log P 0.6783  Molar Refractivity 34.7892 cm3
Polarizability 17.147362 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
0.972 g/mL at 25 °C expand Show data source
European Hazard Symbols
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
19-36/37 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319-H335 expand Show data source
GHS Precautionary statements
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
Linear Formula
C2H5O2CCH2CH2ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498521 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