2-Chlorobenzenesulfonamide - ≥98%(GC) , CAS No.6961-82-6

CAS: 6961-82-6 Cat. No.: C137002 Summenformel: C₆H₆ClNO₂S Molekulargewicht: 191.63 Beilstein Registry Number: 11(3)88 EG-Nummer: 230-156-7

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0611910 | NCGC00256231-01 | NSC 62927 | Tox21_301624 | InChI=1/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10) | 2-chlorobenzene sulphonamide | JCCBZCMSYUSCFM-UHFFFAOYSA- | SY035730 | 2-Chlorobenzenesulfonamide | 2-Chloro-benzenesulfonamide | E

Storage

Room temperature

Shipped In

Normal

Übersicht

2-Chlorobenzenesulfonamide is a halogenated sulfonamide derivative. It is formed as one of the major degradation product of chlorosulfuron.Crystals of 2-chlorobenzenesulfonamide exhibit monoclinic space group Cc. Its molecules are linked by N1—H11···O1 and N1—H12···O2 hydrogen bonding to form an infinite 3-D molecular network.

Specifications

Synonyme

FT-0611910 | NCGC00256231-01 | NSC 62927 | Tox21_301624 | InChI=1/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10) | 2-chlorobenzene sulphonamide | JCCBZCMSYUSCFM-UHFFFAOYSA- | SY035730 | 2-Chlorobenzenesulfonamide | 2-Chloro-benzenesulfonamide | E

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488185961

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185961

Kanonisches Lächeln

C1=CC=C(C(=C1)S(=O)(=O)N)Cl

IUPAC Name

2-chlorobenzenesulfonamide

InChIKey

JCCBZCMSYUSCFM-UHFFFAOYSA-N

INCHI

1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

Isomere SMILES

C1=CC=C(C(=C1)S(=O)(=O)N)Cl

WGK Deutschland

3

Molekulargewicht

191.63

Beilstein

11(3)88

Reaxy-Rn

2937540

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Organochlorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (nicht menschlich)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Schmelzpunkt (°C): 187-192°C
• Molekulargewicht: 191.640 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.981 Da
• Monoisotopic Mass: 190.981 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6961-82-6, the molecular formula is C6H6ClNO2S, and the molecular weight is 191.63 g/mol. InChIKey JCCBZCMSYUSCFM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.