Ethyl 3-Iodopropionate - CAS 6414-69-3

Catalog:	BB032378
Product Name:	Ethyl 3-Iodopropionate
CAS:	6414-69-3
Synonyms:	3-iodopropanoic acid ethyl ester; ethyl 3-iodopropanoate

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Computed Properties

IUPAC Name:	ethyl 3-iodopropanoate
Description:	Ethyl 3-Iodopropionate (CAS# 6414-69-3) is a useful research chemical.
Molecular Weight:	228.03
Molecular Formula:	C5H9IO2
Canonical SMILES:	CCOC(=O)CCI
InChI:	InChI=1S/C5H9IO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChI Key:	KZTNQOAFISZIEI-UHFFFAOYSA-N
Boiling Point:	202.727 ℃ at 760 mmHg
Density:	1.71 g/cm³
LogP:	1.37460

Publication Number	Title	Priority Date
WO-2021013800-A1	Substituted n-phenyl-n-aminouarcils and salts thereof and use thereof as herbicidal agents	20190722
JP-2020176254-A	Photopolymerizable composition, coating film containing the photopolymerizable composition, and curing method thereof	20190415
WO-2020213442-A1	Photopolymerizable composition, coating film containing said photopolymerizable composition, and curing method therefor	20190415
JP-2020172599-A	A photoradical polymerizable composition containing a photoradical curing oxygen inhibition reducing agent, a photoradical curing oxygen inhibition reducing agent, a coating film containing a photoradical curing oxygen inhibition reducing agent, and a curing method thereof.	20190411
WO-2020208833-A1	Photo-radically curable oxygen-inhibition-reducing agent, photo-radically curable oxygen-inhibition-reducing agent-containing photo-radically polymerizable composition, photo-radically curable oxygen-inhibition-reducing agent-containing coating film, and method for curing same	20190411

PMID	Publication Date	Title	Journal
16805546	20060706	Novel Rh catalysis in cross-coupling between alkyl halides and arylzinc compounds possessing ortho-COX (X = OR, NMe2, or Ph) groups	Organic letters

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	72.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.96473
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.96473
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5