N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide - ≥98%(GC)(N) , CAS No.66065-85-8

CAS: 66065-85-8 Cat. No.: N159869 Molecular Weight: 290.48 EC Number: 627-784-2

GRADE & PURITY ≥98%(GC)(N)

Synonyms

AKOS015900716 | C7H6Cl3NO5 | (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl Carbonate | FT-0699722 | 1-{[(2,2,2-Trichloroethoxy)carbonyl]oxy}pyrrolidine-2,5-dione | 2,5-Dioxopyrrolidin-1-yl (2,2,2-trichloroethyl) carbonate | Carbonic Acid N-Succinimidyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS015900716 | C7H6Cl3NO5 | (2, 5-dioxopyrrolidin-1-yl) 2, 2, 2-trichloroethyl Carbonate | FT-0699722 | 1-{[(2, 2, 2-Trichloroethoxy)carbonyl]oxy}pyrrolidine-2, 5-dione | 2, 5-Dioxopyrrolidin-1-yl (2, 2, 2-trichloroethyl) carbonate | Carbonic Acid N-Succinimidyl

Specifications & Purity

≥98%(GC)(N)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)(N)

Names and Identifiers

• Pubchem Sid: 488194749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194749
• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate
• InChIKey: WBZXNGAFYBGQFE-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl3NO5/c8-7(9,10)3-15-6(14)16-11-4(12)1-2-5(11)13/h1-3H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl
• WGK Germany: 3
• Molecular Weight: 290.48
• Reaxy-Rn: 1543161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1543161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Organic carbonic acids and derivatives Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 113 °C
• Molecular Weight: 290.500 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 288.931 Da
• Monoisotopic Mass: 288.931 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 310.000
• 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