3,3'-Sulfonyldianiline

Product Information

Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.29?
Description
3,3'-Diaminodiphenyl sulfone (CAS# 599-61-1) is an impurity of Dapson (D193250), an antibacterial used in the treatment of dermatitis herpetiformis.
Synonyms
3-(3-aminophenyl)sulfonylaniline
IUPAC Name
3-(3-aminophenyl)sulfonylaniline
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N
InChI
InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2
InChI Key
LJGHYPLBDBRCRZ-UHFFFAOYSA-N
Boiling Point
542.8±35.0 °C (Predicted)
Melting Point
170-173 °C (lit.)
Purity
> 98.0 % (T)
Density
1.361 g/cm3
Appearance
White to slightly yellow fine crystalline powder
Storage
Store below +30 °C.
Refractive Index
1.5950 (estimate)
LogP
3.92700

Safety Information

Hazards
H302 - H373 - H411
Precautionary Statement
P260, P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P309+P311, P312, P314, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
248.06194880 g/mol
Monoisotopic Mass
248.06194880 g/mol
Topological Polar Surface Area
94.6Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
322
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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CN-114044901-A Polyimide material and preparation method and application thereof 2021-12-14
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CN-114044928-A Preparation method of non-fluorine polyimide film with high visible light transmittance 2021-12-02
JP-2022043096-A Resin composition, method for manufacturing cured relief pattern, and semiconductor device 2021-12-01
JP-2022010104-A Polyamide-imide resin composition, fluorine paint, and conductive composition 2021-11-05
CN-114106324-A Polyamide acid solution and preparation method and application thereof 2021-10-25
CN-113801437-A Wave-absorbing epoxy resin, wave-absorbing epoxy resin composite material and preparation method thereof 2021-10-21
CN-113897025-A Benzoxazine resin-based composition for packaging third-generation semiconductor device and preparation method thereof 2021-09-24

Literatures

PMID Publication Date Title Journal
23015826 2012-01-01 Synthesis and characterization of a novel carboxyl group containing (co)polyimide with sulfur in the polymer backbone Beilstein journal of organic chemistry
22121724 2011-07-01 Colorless and transparent polyimide nanocomposite films containing organoclay Journal of nanoscience and nanotechnology
20634124 2010-10-01 Fluorimetric and prototropic studies on the inclusion complexation of 3,3'-diaminodiphenylsulphone with beta-cyclodextrin and its unusual behavior Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21581840 2009-01-08 3-(3-Amino-phenyl-sulfon-yl)aniline Acta crystallographica. Section E, Structure reports online
21203099 2008-07-05 Bis(3-nitro-phen-yl) sulfone Acta crystallographica. Section E, Structure reports online
21202649 2008-05-21 Bis(3-amino-phen-yl) sulfone acetonitrile solvate Acta crystallographica. Section E, Structure reports online
15962942 2005-06-01 Prediction of genotoxicity of chemical compounds by statistical learning methods Chemical research in toxicology
15063349 2004-04-25 Determination of 1-(3-fluoro-4-hydroxy-5-mercaptomethyltetrahydrofuran-2-yl)-5-methyl-1H-pyrimidine-2,4-dione in rat plasma and urine by high-performance liquid chromatography Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
12832128 2003-06-01 Synthesis and evaluation of analogues of Congo red as potential compounds against transmissible spongiform encephalopathies European journal of medicinal chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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