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623-48-3 molecular structure
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623-48-3 molecular structure
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ethyl 2-iodoacetate

ChemBase ID: 109845
Molecular Formular: C4H7IO2
Molecular Mass: 214.00165
Monoisotopic Mass: 213.94907746
SMILES and InChIs

SMILES:
 CCOC(=O)CI
Canonical SMILES:
 CCOC(=O)CI
InChI:
 InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey:
 MFFXVVHUKRKXCI-UHFFFAOYSA-N

Cite this record

CBID:109845 http://www.chembase.cn/molecule-109845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-iodoacetate
IUPAC Traditional name
ethyl iodoacetate
Synonyms
ETHYL IODOACETATE
Ethyl iodoacetate
Iodoacetic acid ethyl ester
碘代乙酸乙酯
碘代醋酸乙酯
CAS Number
623-48-3
EC Number
210-796-3
MDL Number
MFCD00001081
Beilstein Number
741934
PubChem SID
162096407
24854592
24880930
PubChem CID
12183
Chemspider ID
11683
Wikipedia Title
Ethyl_iodoacetate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 242934 external link Add to cart 57850 external link Add to cart
MP Biomedicals 05212781 external link Add to cart
Alfa Aesar B24177 external link Add to cart
Wikipedia Ethyl_iodoacetate external link
PubChem 12183 external link
Data Source Data ID Price
Sigma Aldrich
242934 external link Add to cart Please log in.
57850 external link Add to cart Please log in.
MP Biomedicals
05212781 external link Add to cart Please log in.
Alfa Aesar
B24177 external link Add to cart Please log in.
Data Source Data ID
Wikipedia Ethyl_iodoacetate external link
PubChem 12183 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 1  H Donor 0 
LogD (pH = 5.5) 1.2249172  LogD (pH = 7.4) 1.2249172 
Log P 1.2249172  Molar Refractivity 35.2452 cm3
Polarizability 14.198695 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 3  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
179-180 °C expand Show data source
179-180 °C(lit.) expand Show data source
179-180°C expand Show data source
Flash Point
170.6 °F expand Show data source
76°C(169°F) expand Show data source
77 °C expand Show data source
Density
1.808 g/mL expand Show data source
1.808 g/mL at 25 °C(lit.) expand Show data source
1.81 expand Show data source
Refractive Index
1.503 expand Show data source
n20/D 1.503(lit.) expand Show data source
n20/D 1.506 expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
AI3575000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2922 expand Show data source
UN2927 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
25-34 expand Show data source
R:25-34 expand Show data source
Safety Statements
20-23-26-36/37/39-45-60 expand Show data source
26-36/37/39-45 expand Show data source
S:27/28-29-36/37/39-45 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H314 expand Show data source
H300-H314-H318-H227 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P264-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2922 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ICH2COOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212781 external link
MP Biomedicals Rare Chemical collection
Wikipedia.org - Ethyl_iodoacetate external link
Sigma Aldrich - 242934 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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