2-Methoxy-4-(methylsulfonyl)aniline - ≥98% , CAS No.41608-73-5

CAS: 41608-73-5 Cat. No.: M589073 Peso molecular: 201.24 Número EC: 888-098-9

GRADE & PURITY ≥98%

Synonyms

AKOS012981759 | SY048022 | 4-(Methanesulfonyl)-2-methoxyaniline | 4-methanesulfonyl-2-methoxyaniline | 2-Methoxy-4-(methylsulfonyl)aniline | EN300-3024127 | O10816 | 2-methoxy-4-methylsulfonylaniline | A873029 | DS-4515 | BCP20504 | Z1147220045 | MFCD1886

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

AKOS012981759 | SY048022 | 4-(Methanesulfonyl)-2-methoxyaniline | 4-methanesulfonyl-2-methoxyaniline | 2-Methoxy-4-(methylsulfonyl)aniline | EN300-3024127 | O10816 | 2-methoxy-4-methylsulfonylaniline | A873029 | DS-4515 | BCP20504 | Z1147220045 | MFCD1886

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)S(=O)(=O)C)N
• IUPAC Name: 2-methoxy-4-methylsulfonylaniline
• InChIKey: FBZRMLLLOMNOLJ-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO3S/c1-12-8-5-6(13(2,10)11)3-4-7(8)9/h3-5H,9H2,1-2H3
• Isómeros SMILES: COC1=C(C=CC(=C1)S(=O)(=O)C)N
• Peso molecular: 201.24
• Reaxy-Rn: 2835815
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2835815&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonylanilines
• Alternative Parents: Methoxyanilines Benzenesulfonyl compounds Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfones Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonylaniline - Methoxyaniline - Benzenesulfonyl group - Aminophenyl ether - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Sulfonyl - Sulfone - Ether - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 201.250 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.046 Da
• Monoisotopic Mass: 201.046 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 257.000
• 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