O-Pivaloylhydroxylammonium Trifluoromethanesulfonate - ≥98% , CAS No.1293990-73-4

CAS: 1293990-73-4 Cat. No.: O404965 Molecular Weight: 267.22 EC Number: 878-909-4

GRADE & PURITY ≥98%

Synonyms

BS-45750 | amino 2,2-dimethylpropanoate;trifluoromethanesulfonic acid | O-Pivaloylhydroxylamine triflate salt | AT24053 | 1293990-73-4 | SY264617 | O-PIVALOYLHYDROXYLAMINE TFOH | MFCD32701977 | O-Pivaloylhydroxylamine trifluoromethanesulfonate | SCHEMBL17

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BS-45750 | amino 2, 2-dimethylpropanoate;trifluoromethanesulfonic acid | O-Pivaloylhydroxylamine triflate salt | AT24053 | 1293990-73-4 | SY264617 | O-PIVALOYLHYDROXYLAMINE TFOH | MFCD32701977 | O-Pivaloylhydroxylamine trifluoromethanesulfonate | SCHEMBL17

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772948
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772948
• Canonical Smiles: CC(C)(C)C(=O)ON.C(F)(F)(F)S(=O)(=O)O
• IUPAC Name: amino 2,2-dimethylpropanoate;trifluoromethanesulfonic acid
• InChIKey: VWDZEWVQHIHVBH-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2.CHF3O3S/c1-5(2,3)4(7)8-6;2-1(3,4)8(5,6)7/h6H2,1-3H3;(H,5,6,7)
• Isomeric SMILES: CC(C)(C)C(=O)ON.C(F)(F)(F)S(=O)(=O)O
• Molecular Weight: 267.22
• Reaxy-Rn: 21407541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21407541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Monocarboxylic acids and derivatives Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Sulfonyl - Organosulfonic acid - Methanesulfonate - Trihalomethane - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic;light sensitive;Moisture sensitive
• Melt Point(°C): 136 °C
• Molecular Weight: 267.230 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 267.039 Da
• Monoisotopic Mass: 267.039 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 251.000
• 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: 2

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