Chlorosulfonylacetyl chloride - CAS 4025-77-8

Catalog:	BB024402
Product Name:	Chlorosulfonylacetyl chloride
CAS:	4025-77-8
Synonyms:	2-chlorosulfonylacetyl chloride

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Computed Properties

IUPAC Name:	2-chlorosulfonylacetyl chloride
Description:	Chlorosulfonylacetyl chloride (CAS# 4025-77-8 ) is a useful research chemical.
Molecular Weight:	177.01
Molecular Formula:	C2H2Cl2O3S
Canonical SMILES:	C(C(=O)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C2H2Cl2O3S/c3-2(5)1-8(4,6)7/h1H2
InChI Key:	MCFSNYMQISXQTF-UHFFFAOYSA-N
Boiling Point:	753.9 °C at 760 mmHg
Density:	1.669 g/cm³
Appearance:	Yellow to brown liquid
MDL:	MFCD00007457
LogP:	1.40120

Publication Number	Title	Priority Date
US-2021322521-A1	Compositions and methods for treating corneal endothelium	20200420
US-2021324025-A1	Compositions and methods for treating corneal endothelium	20200420
CN-111297723-A	Preparation method of collagen and preparation method of application thereof	20200325
CN-109942505-B	Isothiazolinone compounds and corresponding use	20190411
WO-2020086766-A1	Methods and formulations for transdermal administration of dermal contouring agents	20181023

PMID	Publication Date	Title	Journal
11459636	20010723	Novel tricyclic benzothiazolo[2,3-c]thiadiazine antagonists of the platelet ADP receptor (P2Y(12))	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.9101705
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.9101705
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1