2-Bromoisobutanoic acid N-hydroxysuccinimide ester - ≥98%(GC) , CAS No.728034-24-0

CAS: 728034-24-0 Cat. No.: B473768 Peso molecular: 264.07 Número EC: 809-691-0

GRADE & PURITY ≥98%(GC)

Synonyms

NHS-BiB | AS-83254 | 2,5-DIOXOPYRROLIDIN-1-YL 2-BROMO-2-METHYLPROPANOATE | 2-Bromoisobutanoic acid N-hydroxysuccinimide ester | SCHEMBL260599 | NHS-BiB | Propanoic acid, 2-bromo-2-methyl-, 2,5-dioxo-1-pyrrolidinyl ester | (2,5-dioxopyrrolidin-1-yl) 2-brom

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

Atom transfer radical polymerization (ATRP) initiator with an NHS ester moiety for conjugation chemistry, useful for biological ligations.

Specifications

Sinónimos

NHS-BiB | AS-83254 | 2, 5-DIOXOPYRROLIDIN-1-YL 2-BROMO-2-METHYLPROPANOATE | 2-Bromoisobutanoic acid N-hydroxysuccinimide ester | SCHEMBL260599 | NHS-BiB | Propanoic acid, 2-bromo-2-methyl-, 2, 5-dioxo-1-pyrrolidinyl ester | (2, 5-dioxopyrrolidin-1-yl) 2-brom

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C(=O)ON1C(=O)CCC1=O)Br
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-bromo-2-methylpropanoate
• InChIKey: QBJWGGWPQPRVKW-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrNO4/c1-8(2,9)7(13)14-10-5(11)3-4-6(10)12/h3-4H2,1-2H3
• Isómeros SMILES: CC(C)(C(=O)ON1C(=O)CCC1=O)Br
• Peso molecular: 264.07
• Reaxy-Rn: 9847467
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9847467&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 Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• 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 bromide - Organobromide - 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

• Sensibilidad: Heat sensitive；Moisture sensitive
• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 135-140℃
• Peso molecular: 264.070 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.979 Da
• Monoisotopic Mass: 262.979 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 284.000
• 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

Referencias

1. Muhua Han, Qing-an Qiao, Rong Mu, Yingying Li, Keling Hu, Bin Li.  (2026)  A Bioinspired Protein Bottlebrush Polymer with Enhanced Lubricating and Anti-Inflammation Properties.  BIOMACROMOLECULES,      [PMID:] [10.1021/acs.biomac.5c02533]