4-(N-Succinimidylcarboxy)benzophenone - ≥97%(HPLC) , CAS No.91990-88-4

CAS: 91990-88-4 Cat. No.: N131353 Molecular Weight: 323.3 EC Number: 804-668-1

GRADE & PURITY ≥97%(HPLC)

Synonyms

1-[(4-Benzoylbenzoyl)oxy]pyrrolidine-2,5-dione | 2,5-dioxopyrrolidin-1-yl4-benzoylbenzoate | T73071 | A917038 | 4-Benzoylbenzoic acid succinimidyl ester | AS-10345 | AKOS025312397 | MFCD00058572 | 1-[(4-benzoylbenzoyl)oxy] pyrrolidine-2,5-dione | 4-Benzoy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

An amine-Reactive, Non-Fluorescent heterobifunctional, photoreactive crossslinker

Specifications

Synonyms

1-[(4-Benzoylbenzoyl)oxy]pyrrolidine-2, 5-dione | 2, 5-dioxopyrrolidin-1-yl4-benzoylbenzoate | T73071 | A917038 | 4-Benzoylbenzoic acid succinimidyl ester | AS-10345 | AKOS025312397 | MFCD00058572 | 1-[(4-benzoylbenzoyl)oxy] pyrrolidine-2, 5-dione | 4-Benzoy

Specifications & Purity

≥97%(HPLC)

Storage

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

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate
• InChIKey: MVQNJLJLEGZFGP-UHFFFAOYSA-N
• INCHI: 1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
• Molecular Weight: 323.3
• Reaxy-Rn: 7384547
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7384547&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoic acids and derivatives Benzoyl derivatives Pyrrolidine-2-ones Dicarboximides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoic acid or derivatives - Benzoyl - Aryl ketone - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Carboxylic acid salt - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic salt - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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: light & heat & Moisture sensitive
• Melt Point(°C): 207-212 °C
• Molecular Weight: 323.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 323.079 Da
• Monoisotopic Mass: 323.079 Da
• Topological Polar Surface Area: 80.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 514.000
• 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