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3259-03-8 molecular structure
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1-(2-bromoethoxy)-2-ethoxybenzene

ChemBase ID: 70214
Molecular Formular: C10H13BrO2
Molecular Mass: 245.11302
Monoisotopic Mass: 244.00989166
SMILES and InChIs

SMILES:
C(COc1c(cccc1)OCC)Br
Canonical SMILES:
BrCCOc1ccccc1OCC
InChI:
InChI=1S/C10H13BrO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8H2,1H3
InChIKey:
IOYHGBZPUZBUTJ-UHFFFAOYSA-N

Cite this record

CBID:70214 http://www.chembase.cn/molecule-70214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-bromoethoxy)-2-ethoxybenzene
IUPAC Traditional name
1-(2-bromoethoxy)-2-ethoxybenzene
Synonyms
1-(2-Bromoethoxy)-2-ethoxy-benzene
1-(2-Bromoethoxy)-2-ethoxybenzene
2-(2-Ethoxyphenoxy)ethyl bromide
2-(2-Ethoxyphenoxy)ethyl bromide
1-(2-Bromoethoxy)-2-ethoxybenzene
2-(2-Ethoxyphenoxy)ethylbroMide
2-(2-乙氧基苯氧基)乙基溴
CAS Number
3259-03-8
EC Number
000-000-0
MDL Number
MFCD02030483
Beilstein Number
6290077
PubChem SID
162035937
PubChem CID
7010183

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8646963  LogD (pH = 7.4) 2.8646963 
Log P 2.8646963  Molar Refractivity 56.0598 cm3
Polarizability 21.750887 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
Melting Point
41-43°C expand Show data source
Hydrophobicity(logP)
3.061 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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