Benzylsulfonamide - ≥98%(HPLC) , CAS No.4563-33-1

CAS: 4563-33-1 Cat. No.: B152070 Peso molecular: 171.21 Beilstein Registry Number: 11(4)486 Número EC: 224-935-0
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
Synonyms
NSC28899 | NSC-28899 | Z89268868 | 1-(phenyl)methanesulfonamide | Toluene-alpha-sulphonamide | MFCD00041893 | AC-22755 | NSC 28899 | TOLUENE-ALPHA-SULFONAMIDE | 1-phenylmethanesulfonamide | MFCD00070772 | alpha -Toluenesulfonamide | DTXSID0063525 | phenyl
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
B152070-250mg
4
16,90US$
1g
B152070-1g
≥10
39,90US$
5g
B152070-5g
1
66,90US$
25g
B152070-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
220,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
NSC28899 | NSC-28899 | Z89268868 | 1-(phenyl)methanesulfonamide | Toluene-alpha-sulphonamide | MFCD00041893 | AC-22755 | NSC 28899 | TOLUENE-ALPHA-SULFONAMIDE | 1-phenylmethanesulfonamide | MFCD00070772 | alpha -Toluenesulfonamide | DTXSID0063525 | phenyl
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%(HPLC)
Nombres e identificadores
Pubchem Sid488185562
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185562
Sonrisas canónicasC1=CC=C(C=C1)CS(=O)(=O)N
IUPAC Namephenylmethanesulfonamide
InChIKeyABOYDMHGKWRPFD-UHFFFAOYSA-N
INCHI1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
Isómeros SMILES C1=CC=C(C=C1)CS(=O)(=O)N
Peso molecular 171.21
Beilstein 11(4)486
Reaxy-Rn 2414000
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2414000&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Organosulfonamides  Organic sulfonamides  Aminosulfonyl compounds  Organic oxides  Organic nitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Organosulfonic acid amide - Organic sulfonic acid amide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CA2 Tclin Carbonic anhydrase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeFechaArticulo
A2007038Certificate of AnalysisOct 07, 2023 B152070
E2327619Certificate of AnalysisJun 06, 2023 B152070
L2214675Certificate of AnalysisDec 30, 2022 B152070
Propiedades químicas y físicas
Punto de fusión (°C)101-104°C
Peso molecular171.220 g/mol
XLogP30.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass171.035 Da
Monoisotopic Mass171.035 Da
Topological Polar Surface Area68.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity199.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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