4-(2-Bromophenylsulfonyl)morpholine - ≥98% , CAS No.688798-57-4

CAS: 688798-57-4 Cat. No.: B186029 Formule: C₁₀H₁₂BrNO₃S Poids moléculaire: 306.2

GRADE & PURITY ≥98%

Synonyms

NCGC00181894-01 | 4-(2-BROMOPHENYLSULFONYL)MORPHOLINE | Z45515873 | DTXSID20429153 | SCHEMBL20627051 | 4-(2-Bromobenzene-1-sulfonyl)morpholine | AKOS008009665 | 4-(2-bromobenzenesulfonyl)morpholine | A866958 | AB00988890-01 | 4-[(2-Bromophenyl)sulphonyl]m

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

NCGC00181894-01 | 4-(2-BROMOPHENYLSULFONYL)MORPHOLINE | Z45515873 | DTXSID20429153 | SCHEMBL20627051 | 4-(2-Bromobenzene-1-sulfonyl)morpholine | AKOS008009665 | 4-(2-bromobenzenesulfonyl)morpholine | A866958 | AB00988890-01 | 4-[(2-Bromophenyl)sulphonyl]m

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1COCCN1S(=O)(=O)C2=CC=CC=C2Br
• IUPAC Name: 4-(2-bromophenyl)sulfonylmorpholine
• InChIKey: ZAPNWTPTHAUFJG-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrNO3S/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
• Isomères SMILES: C1COCCN1S(=O)(=O)C2=CC=CC=C2Br
• Poids moléculaire: 306.2
• Reaxy-Rn: 14267628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14267628&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds 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 - 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 - Organic oxide - Organobromide - Organohalogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 306.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 304.972 Da
• Monoisotopic Mass: 304.972 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 321.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 688798-57-4, the molecular formula is C10H12BrNO3S, and the molecular weight is 306.2 g/mol. InChIKey ZAPNWTPTHAUFJG-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.