Ethyl 2-(Chlorosulfonyl)acetate - CAS 55896-93-0

Catalog:	BB029213
Product Name:	Ethyl 2-(Chlorosulfonyl)acetate
CAS:	55896-93-0
Synonyms:	2-chlorosulfonylacetic acid ethyl ester; ethyl 2-chlorosulfonylacetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-chlorosulfonylacetate
Description:	Ethyl 2-(Chlorosulfonyl)acetate (CAS# 55896-93-0) is a useful research chemical.
Molecular Weight:	186.61
Molecular Formula:	C4H7ClO4S
Canonical SMILES:	CCOC(=O)CS(=O)(=O)Cl
InChI:	InChI=1S/C4H7ClO4S/c1-2-9-4(6)3-10(5,7)8/h2-3H2,1H3
InChI Key:	DWCZKKQRUBQFIB-UHFFFAOYSA-N
Boiling Point:	117-118 °C (lit.)
Density:	1.43 g/cm³
MDL:	MFCD08458866
LogP:	1.19890

Publication Number	Title	Priority Date
WO-2021050612-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190909
CN-109232517-B	Sulfonylcoumarin derivatives and application thereof in preparation of antitumor drugs	20181016
WO-2019234115-A1	Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis	20180607
TW-202016090-A	Pyridyl derivatives substituted with alkoxy groups	20180607
AU-2019282274-A1	Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis	20180607

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.9753576
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.9753576
Rotatable Bond Count:	4
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7