4-(Chlorosulfonyl)benzoic acid - CAS 10130-89-9

Catalog:	BB000482
Product Name:	4-(Chlorosulfonyl)benzoic acid
CAS:	10130-89-9
Synonyms:	4-chlorosulfonylbenzoic acid

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Computed Properties

IUPAC Name:	4-chlorosulfonylbenzoic acid
Description:	4-(Chlorosulfonyl)benzoic acid (CAS# 10130-89-9) is a chemical reagent used in catalyzing living radical polymerizations.
Molecular Weight:	220.63
Molecular Formula:	C7H5ClO4S
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)S(=O)(=O)Cl
InChI:	InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:	PTCSSXYPZOFISK-UHFFFAOYSA-N
Boiling Point:	379.1 °C at 760 mmHg
Melting Point:	233-235 °C
Purity:	95 %
Density:	1.591 g/cm³
Appearance:	Off-white to beige powder
MDL:	MFCD00007448
LogP:	2.39310

Publication Number	Title	Priority Date
AU-2020101542-A4	A preparation method and application of a chloramphenicol antigen	20200728
WO-2021187605-A1	NITROGEN-CONTAINING HETEROCYCLIC Î±-CYANO CARBONYL COMPOUND	20200319
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
CN-112409376-A	Protein degradation targeting chimera based on DCAF15, and preparation method and application thereof	20190820
WO-2020243457-A1	Compounds and therapeutic uses thereof	20190529

PMID	Publication Date	Title	Journal
21049301	20110201	Activation of sulfonate ester based matrix metalloproteinase proinhibitors by hydrogen peroxide	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
14611846	20030901	Carbonic anhydrase inhibitors: topically acting antiglaucoma sulfonamides incorporating esters and amides of 3- and 4-carboxybenzolamide	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, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.9597075
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.9597075
Rotatable Bond Count:	2
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5