N-Succinimidyl Trifluoroacetate(TFA-NHS) - ≥95% , CAS No.5672-89-9

CAS: 5672-89-9 Cat. No.: N159498 Peso molecular: 211.10 Número EC: 811-139-9

GRADE & PURITY ≥95%

Synonyms

2,5-Dioxo-1-pyrrolidinyl 2,2,2-Trifluoroacetate | BS-44176 | 2,5-DIOXOPYRROLIDIN-1-YL2,2,2-TRIFLUOROACETATE | SCHEMBL504171 | FT-0733836 | MFCD00595252 | N-Succinimidyl Trifluoroacetate | SY055419 | 2,5-DIOXOPYRROLIDIN-1-YL 2,2,2-TRIFLUOROACETATE | (2,5-d

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2, 5-Dioxo-1-pyrrolidinyl 2, 2, 2-Trifluoroacetate | BS-44176 | 2, 5-DIOXOPYRROLIDIN-1-YL2, 2, 2-TRIFLUOROACETATE | SCHEMBL504171 | FT-0733836 | MFCD00595252 | N-Succinimidyl Trifluoroacetate | SY055419 | 2, 5-DIOXOPYRROLIDIN-1-YL 2, 2, 2-TRIFLUOROACETATE | (2, 5-d

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)N(C1=O)OC(=O)C(F)(F)F
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
• InChIKey: NIANZCQUVKPGSF-UHFFFAOYSA-N
• INCHI: 1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2H2
• Isómeros SMILES: C1CC(=O)N(C1=O)OC(=O)C(F)(F)F
• Peso molecular: 211.10
• Reaxy-Rn: 1473237
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1473237&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Alpha-halocarboxylic acid derivatives Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Dicarboximide - Lactam - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture Sensitive
• Punto de ebullición (°C): 100°C/3mmHg(lit.)
• Punto de fusión (°C): 75 °C
• Peso molecular: 211.100 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 211.009 Da
• Monoisotopic Mass: 211.009 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 282.000
• 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