4-(Ethanesulfonyl)aniline - ≥96% , CAS No.6334-01-6

CAS: 6334-01-6 Cat. No.: E185702 Summenformel: C₈H₁₁NO₂S Molekulargewicht: 185.2

GRADE & PURITY ≥96%

Synonyms

[4-(ethylsulfonyl)phenyl]amine | 4-(Ethanesulfonyl)aniline | NCGC00245970-01 | ANILINE, p-(ETHYLSULFONYL)- | EN300-11894 | BS-13642 | CBJKYWQOFCTMLG-UHFFFAOYSA-N | FT-0736210 | NSC31377 | NSC-31377 | 4-13-00-01290 (Beilstein Handbook Reference) | NSC 3137

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

[4-(ethylsulfonyl)phenyl]amine | 4-(Ethanesulfonyl)aniline | NCGC00245970-01 | ANILINE, p-(ETHYLSULFONYL)- | EN300-11894 | BS-13642 | CBJKYWQOFCTMLG-UHFFFAOYSA-N | FT-0736210 | NSC31377 | NSC-31377 | 4-13-00-01290 (Beilstein Handbook Reference) | NSC 3137

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Kanonisches Lächeln: CCS(=O)(=O)C1=CC=C(C=C1)N
• IUPAC Name: 4-ethylsulfonylaniline
• InChIKey: CBJKYWQOFCTMLG-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
• Isomere SMILES: CCS(=O)(=O)C1=CC=C(C=C1)N
• Molekulargewicht: 185.2
• Reaxy-Rn: 2719642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719642&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonylanilines
• Alternative Parents: Benzenesulfonyl compounds Sulfones Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonylaniline - Benzenesulfonyl group - Sulfonyl - Sulfone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfonylanilines. These are compounds containing an aniline moiety, which is para-substituted by a sulfonyl group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 185.250 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.051 Da
• Monoisotopic Mass: 185.051 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• 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?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 6334-01-6, the molecular formula is C8H11NO2S, and the molecular weight is 185.2 g/mol. InChIKey CBJKYWQOFCTMLG-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.