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4823-47-6 molecular structure
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2-bromoethyl prop-2-enoate

ChemBase ID: 302289
Molecular Formular: C5H7BrO2
Molecular Mass: 179.01188
Monoisotopic Mass: 177.96294146
SMILES and InChIs

SMILES:
C=CC(=O)OCCBr
Canonical SMILES:
BrCCOC(=O)C=C
InChI:
InChI=1S/C5H7BrO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChIKey:
CDZAAIHWZYWBSS-UHFFFAOYSA-N

Cite this record

CBID:302289 http://www.chembase.cn/molecule-302289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromoethyl prop-2-enoate
IUPAC Traditional name
2-bromoethyl prop-2-enoate
Synonyms
Acrylic acid 2-bromoethyl ester
2-Bromoethyl acrylate
2-溴乙基 丙烯酸酯
CAS Number
4823-47-6
EC Number
000-000-0
MDL Number
MFCD00013541
Beilstein Number
1749713

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7621598  LogD (pH = 7.4) 1.7621598 
Log P 1.7621598  Molar Refractivity 34.3873 cm3
Polarizability 13.376585 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)
Boiling Point
52-53°C/5mm expand Show data source
RTECS
AS4810000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
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
94%, stab. with 0.1% 4-methoxyphenol expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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