2,2,2-Trichloroethyl Sulfamate - ≥98%(T) , CAS No.69226-51-3

CAS: 69226-51-3 Cat. No.: T161645 Peso molecular: 228.47 Número EC: 987-664-3 PubChem CID: 3052707

GRADE & PURITY ≥98%(T)

Synonyms

Cl3CCH2OSO2NH2 | SCHEMBL893732 | AKOS037645722 | 2,2,2-Trichloroethoxysulfonamide,97% | MFCD01683146 | T2646 | VOKONKGVTXWZJI-UHFFFAOYSA-N | BDBM50112404 | 2,2,2-Trichloroethoxysulfonamide | 2,2,2-Trichloroethoxysulfonamide, 97% | DTXSID20219273 | Sulfami

Storage

Room temperature

Shipped In

Normal

Descripción general

Nitrogen source in an intermolecular rhodium-catalyzed (B152255) amination of C-H bonds.

Specifications

Sinónimos

Cl3CCH2OSO2NH2 | SCHEMBL893732 | AKOS037645722 | 2, 2, 2-Trichloroethoxysulfonamide, 97% | MFCD01683146 | T2646 | VOKONKGVTXWZJI-UHFFFAOYSA-N | BDBM50112404 | 2, 2, 2-Trichloroethoxysulfonamide | 2, 2, 2-Trichloroethoxysulfonamide, 97% | DTXSID20219273 | Sulfami

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488194231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194231
• Sonrisas canónicas: C(C(Cl)(Cl)Cl)OS(=O)(=O)N
• IUPAC Name: 2,2,2-trichloroethyl sulfamate
• InChIKey: VOKONKGVTXWZJI-UHFFFAOYSA-N
• INCHI: 1S/C2H4Cl3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
• Isómeros SMILES: C(C(Cl)(Cl)Cl)OS(=O)(=O)N
• WGK Alemania: 2
• RTECS: WO6200000
• PubChem CID: 3052707
• Peso molecular: 228.47
• Reaxy-Rn: 6191899

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Organooxygen compounds Organochlorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 56 °C
• Peso molecular: 228.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.898 Da
• Monoisotopic Mass: 226.898 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 189.000
• 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