N-Chloroacetoxy-succinimide - ≥98% , CAS No.27243-15-8

CAS: 27243-15-8 Cat. No.: N292492 Molecular Weight: 191.57 EC Number: 970-727-4

GRADE & PURITY ≥98%

Synonyms

2,5-dioxopyrrolidin-1-yl 2-chloroacetate | N-Succinimidyl 2-chloroacetate | (2,5-dioxopyrrolidin-1-yl) 2-chloroacetate | A1-02789 | MFCD11044492 | chloro-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester | AMY16150 | 1-[(chloroacetyl)oxy]pyrrolidine-2,5-dione |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 5-dioxopyrrolidin-1-yl 2-chloroacetate | N-Succinimidyl 2-chloroacetate | (2, 5-dioxopyrrolidin-1-yl) 2-chloroacetate | A1-02789 | MFCD11044492 | chloro-acetic acid 2, 5-dioxo-pyrrolidin-1-yl ester | AMY16150 | 1-[(chloroacetyl)oxy]pyrrolidine-2, 5-dione |

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCl
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-chloroacetate
• InChIKey: OWZGNRBFMASABS-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClNO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h1-3H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCl
• Molecular Weight: 191.57
• Reaxy-Rn: 1531864
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1531864&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• 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 chloride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), DMSO (Slightly)
• Sensitivity: Moisture sensitive
• Melt Point(°C): 112-116° C
• Molecular Weight: 191.570 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 190.999 Da
• Monoisotopic Mass: 190.999 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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