Phenyl-2-aminobenzenesulfonate - CAS 68227-69-0

Catalog:	BB033496
Product Name:	Phenyl-2-aminobenzenesulfonate
CAS:	68227-69-0
Synonyms:	phenyl 2-aminobenzenesulfonate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	phenyl 2-aminobenzenesulfonate
Description:	Phenyl-2-aminobenzenesulfonate (CAS# 68227-69-0) is a useful research chemical compound.
Molecular Weight:	249.29
Molecular Formula:	C12H11NO3S
Canonical SMILES:	C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N
InChI:	InChI=1S/C12H11NO3S/c13-11-8-4-5-9-12(11)17(14,15)16-10-6-2-1-3-7-10/h1-9H,13H2
InChI Key:	DELFPZLNAZAZRE-UHFFFAOYSA-N
Boiling Point:	435 °C at 760 mmHg
Melting Point:	70-73 °C
Purity:	95 %
Density:	1.344 g/cm³
Appearance:	Grayish yellow powder
MDL:	MFCD03093960
LogP:	3.69850

Publication Number	Title	Priority Date
WO-2021066080-A1	Drug, drug manufacturing method, and water purification method	20191001
CN-108080236-A	A kind of method for promoting desulfurizing dust-collector shell corrosion resistance	20171130
CN-110769931-A	Catalyst for generating free radical, method for producing oxidation reaction product, chemical, and chemical for agricultural and livestock use	20170617
EP-3626339-A1	Radical-generating catalyst, radical production method, oxidation reaction product production method, chemical agent, and chemical agent for agriculture and livestock	20170617
JP-WO2018230743-A1	Radical generating catalyst, radical production method, oxidation reaction product production method, drug and agricultural and livestock drug	20170617

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.04596439
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.04596439
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9