4-(4-Bromo-3-methylphenylsulfonyl)morpholine - ≥98% , CAS No.380846-85-5

CAS: 380846-85-5 Cat. No.: B184158 Peso molecular: 320.2

GRADE & PURITY ≥98%

Synonyms

4-(4-BROMO-3-METHYLPHENYLSULFONYL)MORPHOLINE | A873927 | MFCD02224364 | Z45515866 | 4-((4-Bromo-3-methylphenyl)sulfonyl)morpholine | BS-28071 | DTXSID50368940 | OSTDJJMHHWTMDS-UHFFFAOYSA-N | AG-205/14194009 | 4-(4-bromo-3-methylbenzenesulfonyl)morpholine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(4-BROMO-3-METHYLPHENYLSULFONYL)MORPHOLINE | A873927 | MFCD02224364 | Z45515866 | 4-((4-Bromo-3-methylphenyl)sulfonyl)morpholine | BS-28071 | DTXSID50368940 | OSTDJJMHHWTMDS-UHFFFAOYSA-N | AG-205/14194009 | 4-(4-bromo-3-methylbenzenesulfonyl)morpholine

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Br
• IUPAC Name: 4-(4-bromo-3-methylphenyl)sulfonylmorpholine
• InChIKey: OSTDJJMHHWTMDS-UHFFFAOYSA-N
• INCHI: 1S/C11H14BrNO3S/c1-9-8-10(2-3-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
• Isómeros SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Br
• Peso molecular: 320.2
• Reaxy-Rn: 20365195
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20365195&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Toluenes Bromobenzenes Organosulfonamides Morpholines Aryl bromides Sulfonyls Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 320.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 318.988 Da
• Monoisotopic Mass: 318.988 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 348.000
• 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