Methyl 2-(Chlorosulfonyl)acetate - CAS 56146-83-9

Catalog:	BB029272
Product Name:	Methyl 2-(Chlorosulfonyl)acetate
CAS:	56146-83-9
Synonyms:	2-chlorosulfonylacetic acid methyl ester; methyl 2-chlorosulfonylacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-chlorosulfonylacetate
Description:	Methyl 2-(Chlorosulfonyl)acetate (CAS# 56146-83-9) is a useful research chemical.
Molecular Weight:	172.59
Molecular Formula:	C3H5ClO4S
Canonical SMILES:	COC(=O)CS(=O)(=O)Cl
InChI:	InChI=1S/C3H5ClO4S/c1-8-3(5)2-9(4,6)7/h2H2,1H3
InChI Key:	YBIPZPBGAGTBGK-UHFFFAOYSA-N
Boiling Point:	228.392 °C at 760 mmHg
Density:	1.515 g/cm³
Appearance:	Solid
MDL:	MFCD00075558
LogP:	0.80880

Publication Number	Title	Priority Date
CN-113493453-A	Fused aromatic ring derivative, preparation method and medical application thereof	20200407
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Related Functional Groups

Sulfur Compounds

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[123-43-3]
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[518012-62-9]
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[71996-48-0]
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[5310-68-9]
4-Chlorophenylsulphur pentafluoride

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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:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.9597075
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.9597075
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3