2-Chloroethyl Acrylate - CAS 2206-89-5

Catalog:	BB017338
Product Name:	2-Chloroethyl Acrylate
CAS:	2206-89-5
Synonyms:	2-propenoic acid 2-chloroethyl ester; 2-chloroethyl prop-2-enoate

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-chloroethyl prop-2-enoate
Description:	2-Chloroethyl Acrylate (CAS# 2206-89-5 ) is a useful research chemical.
Molecular Weight:	134.56
Molecular Formula:	C5H7ClO2
Canonical SMILES:	C=CC(=O)OCCCl
InChI:	InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChI Key:	WHBAYNMEIXUTJV-UHFFFAOYSA-N
Boiling Point:	64-66 °C / 20 mmHg
Density:	1.111 g/cm³
Solubility:	Insoluble (<1 mg/ml at 70 °F)
Appearance:	Insoluble in water (<1 mg/ml at 70 °f)
LogP:	0.95440

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PMID	Publication Date	Title	Journal
18406150	20080515	Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity	Bioorganic & medicinal chemistry
15268312	20040122	The mutual diffusion coefficient for (meth)acrylate monomers as determined with a nuclear microprobe	The Journal of chemical physics

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H226 (97.44%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P310, P303+P361+P353, P305+P351+P338, P310, P321, P330, P370+P378, P391, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	90.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.0134572
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.0134572
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1