N-Succinimidyl 4-Formylbenzoate - ≥98%(HPLC) , CAS No.60444-78-2

CAS: 60444-78-2 Cat. No.: N159125 Molecular Weight: 247.21 EC Number: 881-209-1

GRADE & PURITY ≥98%(HPLC)

Synonyms

SUCCINIMIDYL4-FORMYLBENZOATE | DTXSID80399606 | MFCD00133733 | 4-{[(2,5-Dioxopyrrolidin-1-yl)oxy]carbonyl}benzaldehyde | FT-0674711 | N-Succinimidyl 4-formylbenzoate | (SFB);Succinimidyl-p-formyl-benzoate | (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate | 4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-Formylbenzoic acid N-hydroxysuccinimide ester may be used as a reference standard in analytical studies such as HPLC. 4-Formylbenzoic acid may be used as molecular probe of transketolases.

Specifications

Synonyms

SUCCINIMIDYL4-FORMYLBENZOATE | DTXSID80399606 | MFCD00133733 | 4-{[(2, 5-Dioxopyrrolidin-1-yl)oxy]carbonyl}benzaldehyde | FT-0674711 | N-Succinimidyl 4-formylbenzoate | (SFB);Succinimidyl-p-formyl-benzoate | (2, 5-dioxopyrrolidin-1-yl) 4-formylbenzoate | 4-

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate
• InChIKey: VHYRHFNOWKMCHQ-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO5/c14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16/h1-4,7H,5-6H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C=O
• WGK Germany: 3
• Molecular Weight: 247.21
• Reaxy-Rn: 6927908
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6927908&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Benzaldehydes Pyrrolidine-2-ones Dicarboximides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzaldehyde - Benzoyl - Aryl-aldehyde - 2-pyrrolidone - Pyrrolidone - Pyrrolidine - Dicarboximide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene 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): 174 °C
• Molecular Weight: 247.200 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 247.048 Da
• Monoisotopic Mass: 247.048 Da
• Topological Polar Surface Area: 80.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 368.000
• 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