N-Succinimidyl 4-Nitrophenylacetate [for HPLC Labeling] - ≥98%(N) , CAS No.68123-33-1

CAS: 68123-33-1 Cat. No.: N159122 Molecular Weight: 278.22 EC Number: 268-551-1

GRADE & PURITY ≥98%(N)

Synonyms

FT-0729352 | NSC370377 | NSC-370377 | AKOS024374975 | N-Succinimidyl 4-Nitrophenylacetate [for HPLC Labeling] | N-(4-Nitrophenylacetoxy)succinimide | SUCCINIMIDO P-NITROPHENYLACETATE | DTXSID5071121 | 6M5DCC3FUA | N-succinimidyl-4-nitrophenylacetate | Ben

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

FT-0729352 | NSC370377 | NSC-370377 | AKOS024374975 | N-Succinimidyl 4-Nitrophenylacetate [for HPLC Labeling] | N-(4-Nitrophenylacetoxy)succinimide | SUCCINIMIDO P-NITROPHENYLACETATE | DTXSID5071121 | 6M5DCC3FUA | N-succinimidyl-4-nitrophenylacetate | Ben

Specifications & Purity

≥98%(N)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(N)

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(4-nitrophenyl)acetate
• InChIKey: JUEAHIVORWVODA-UHFFFAOYSA-N
• INCHI: 1S/C12H10N2O6/c15-10-5-6-11(16)13(10)20-12(17)7-8-1-3-9(4-2-8)14(18)19/h1-4H,5-7H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]
• Molecular Weight: 278.22
• Reaxy-Rn: 6228910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6228910&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Pyrrolidine-2-ones Dicarboximides Lactams Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carboxylic acid salt - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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): 181 °C
• Molecular Weight: 278.220 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 278.054 Da
• Monoisotopic Mass: 278.054 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 420.000
• 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