N-Succinimidyl 5-Azido-2-nitrobenzoate - ≥97% , CAS No.60117-35-3

CAS: 60117-35-3 Cat. No.: N159713 Molecular Weight: 305.21 EC Number: 691-356-1

GRADE & PURITY ≥97%

Synonyms

N-5-Azido-2-nitrobenzoyloxysuccinimide | S0860 | 5-Azido-2-nitrobenzoic Acid N-Succinimidyl Ester | Anb-nos | ANB-NOS Crosslinker | N-Succinimidyl 5-Azido-2-nitrobenzoate | 2,5-Pyrrolidinedione, 1-((5-azido-2-nitrobenzoyl)oxy)- | AKOS040741146 | 5-Azido-2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application:

Photoactive, heterobifunctional cross-linking reagent. Typically, initial reaction couples via ester to primary amine by amide bond formation in the pH range 6.5-8.5. Second bonding occurs during UV irradiation (250-350 nm) via reactive nitrene. The latter bonding is rapid and non-specific.

Specifications

Synonyms

N-5-Azido-2-nitrobenzoyloxysuccinimide | S0860 | 5-Azido-2-nitrobenzoic Acid N-Succinimidyl Ester | Anb-nos | ANB-NOS Crosslinker | N-Succinimidyl 5-Azido-2-nitrobenzoate | 2, 5-Pyrrolidinedione, 1-((5-azido-2-nitrobenzoyl)oxy)- | AKOS040741146 | 5-Azido-2

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762393
• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)N=[N+]=[N-])[N+](=O)[O-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-azido-2-nitrobenzoate
• InChIKey: FUOJEDZPVVDXHI-UHFFFAOYSA-N
• INCHI: 1S/C11H7N5O6/c12-14-13-6-1-2-8(16(20)21)7(5-6)11(19)22-15-9(17)3-4-10(15)18/h1-2,5H,3-4H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)N=[N+]=[N-])[N+](=O)[O-]
• Molecular Weight: 305.21
• Reaxy-Rn: 1173416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1173416&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: Nitrobenzoic acids and derivatives
• Alternative Parents: Nitrobenzenes Phenylazides Nitroaromatic compounds Benzoyl derivatives Pyrrolidine-2-ones Dicarboximides Azo compounds Azo imides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzoate - Nitrobenzene - Benzoyl - Nitroaromatic compound - Phenylazide - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Azo compound - Azo imide - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
• 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 Sensitive,Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 136 °C
• Molecular Weight: 305.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 305.04 Da
• Monoisotopic Mass: 305.04 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 550.000
• 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