3-Ethoxy-acryloyl chloride - CAS 6191-99-7

Catalog:	BB031325
Product Name:	3-Ethoxy-acryloyl chloride
CAS:	6191-99-7
Synonyms:	(E)-3-ethoxyprop-2-enoyl chloride

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Computed Properties

IUPAC Name:	(E)-3-ethoxyprop-2-enoyl chloride
Description:	3-Ethoxy-acryloyl chloride (CAS# 6191-99-7) is a useful research chemical.
Molecular Weight:	134.56
Molecular Formula:	C5H7ClO2
Canonical SMILES:	CCOC=CC(=O)Cl
InChI:	InChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3/b4-3+
InChI Key:	SFMFACMIOWQIPR-ONEGZZNKSA-N
Boiling Point:	171.8 ℃ at 760 mmHg
Purity:	98 %
Density:	1.125 g/cm³
MDL:	MFCD09029675
LogP:	1.30200

Publication Number	Title	Priority Date
CN-112175607-A	Organic room temperature phosphorescent material and preparation method and application thereof	20201102
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
CN-110483496-B	Derivative with uracil-benzothiazole structure, preparation method thereof and application of anti-HCV (hepatitis C virus) medicament	20190717
WO-2021008588-A1	Class of pyrimidine quinoline derivatives and preparation method therefor and application thereof	20190716

PMID	Publication Date	Title	Journal
15112206	20040503	Enantioselective [4+2]-cycloaddition reaction of a photochemically generated o-quinodimethane: mechanistic details, association studies, and pressure effects	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P333+P313, P342+P311, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	98.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
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:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4