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2-Iodobenzenesulfonic Acid

2-Iodobenzenesulfonic Acid - CAS 63059-25-6

Catalog:	BB031969
Product Name:	2-Iodobenzenesulfonic Acid
CAS:	63059-25-6
Synonyms:	2-iodobenzenesulfonic acid; 2-iodobenzenesulfonic acid

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Computed Properties

IUPAC Name:	2-iodobenzenesulfonic acid
Description:	2-Iodobenzenesulfonic Acid (CAS# 63059-25-6) is a useful research chemical.
Molecular Weight:	284.07
Molecular Formula:	C6H5IO3S
Canonical SMILES:	C1=CC=C(C(=C1)S(=O)(=O)O)I
InChI:	InChI=1S/C6H5IO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key:	ZJTNYBYLBTVLRD-UHFFFAOYSA-N
Density:	2.115 g/cm³
MDL:	MFCD01860232
LogP:	2.61870

Publication Number	Title	Priority Date
CN-112441899-A	Method for synthesizing chiral carvone by using chiral 8-hydroxy carvone	20210107
WO-2021201196-A1	Film-forming composition	20200331
WO-2021083438-A1	Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma	20191030
WO-2020244754-A1	Method and sensor for detection of triacetone triperoxide (tatp), diacetone diperoxide (dadp), hexamethylene triperoxide diamine (hmtd) and hydrogen peroxide	20190605
WO-2020130080-A1	Method for producing p-quinones	20181221

PMID	Publication Date	Title	Journal
21301733	20110407	Effective oxidation of benzylic and alkane C-H bonds catalyzed by sodium o-iodobenzenesulfonate with Oxone as a terminal oxidant under phase-transfer conditions	Organic & biomolecular chemistry
19360158	20090428	Hypervalent iodine-mediated oxidation of alcohols	Chemical communications (Cambridge, England)
19053813	20090114	2-Iodoxybenzenesulfonic acid as an extremely active catalyst for the selective oxidation of alcohols to aldehydes, ketones, carboxylic acids, and enones with oxone	Journal of the American Chemical Society
21581218	20081129	Sodium 2-iodo-benzene-sulfonate monohydrate	Acta crystallographica. Section E, Structure reports online
21203089	20080705	Potassium 2-iodo-benzene-sulfonate monohydrate	Acta crystallographica. Section E, Structure reports online

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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:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.90041
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	283.90041
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3