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31930-36-6 molecular structure
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ethyl (2Z)-3-iodoprop-2-enoate

ChemBase ID: 151813
Molecular Formular: C5H7IO2
Molecular Mass: 226.01235
Monoisotopic Mass: 225.94907746
SMILES and InChIs

SMILES:
CCOC(=O)/C=C\I
Canonical SMILES:
CCOC(=O)/C=C\I
InChI:
InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKey:
AELYFQSZXFFNGP-ARJAWSKDSA-N

Cite this record

CBID:151813 http://www.chembase.cn/molecule-151813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (2Z)-3-iodoprop-2-enoate
IUPAC Traditional name
ethyl (2Z)-3-iodoprop-2-enoate
Synonyms
Ethyl cis-3-iodoacrylate
顺式-3-碘丙烯酸乙酯
CAS Number
31930-36-6
MDL Number
MFCD00209584
PubChem SID
162245959
24866512
PubChem CID
643843

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
423602 external link Add to cart Please log in.
Data Source Data ID
PubChem 643843 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.834375  LogD (pH = 7.4) 1.834375 
Log P 1.834375  Molar Refractivity 40.2618 cm3
Polarizability 15.723333 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
85 °C/20 mmHg(lit.) expand Show data source
Flash Point
210.2 °F expand Show data source
99 °C expand Show data source
Density
1.765 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.533(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 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
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Linear Formula
ICH=CHCO2C2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 423602 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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