N-Chlorosuccinimide - ≥98% , CAS No.128-09-6

CAS: 128-09-6 Cat. No.: C105072 Molecular Weight: 133.53 Beilstein Registry Number: 113915 EC Number: 204-878-8

GRADE & PURITY ≥98%

Synonyms

NCS | N -chlorosuccinimide | Q-201455 | UNII-0FWP306H7X | F0001-0394 | MFCD00005511 | NCGC00255991-01 | C4H4ClNO2 | N-Chloro succinimide | EPA Pesticide Chemical Code 077301 | N-chlorosuccinic acid imide | N-chlorosuccinimid | N-Clorosuccinimide | EINECS

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Regioselective chlorination and oxidizing reagent.

Specifications

Synonyms

NCS | N -chlorosuccinimide | Q-201455 | UNII-0FWP306H7X | F0001-0394 | MFCD00005511 | NCGC00255991-01 | C4H4ClNO2 | N-Chloro succinimide | EPA Pesticide Chemical Code 077301 | N-chlorosuccinic acid imide | N-chlorosuccinimid | N-Clorosuccinimide | EINECS

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753471
• Canonical Smiles: C1CC(=O)N(C1=O)Cl
• IUPAC Name: 1-chloropyrrolidine-2,5-dione
• InChIKey: JRNVZBWKYDBUCA-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
• Isomeric SMILES: C1CC(=O)N(C1=O)Cl
• WGK Germany: 3
• RTECS: UY1013500
• UN Number: 3261
• Molecular Weight: 133.53
• Beilstein: 113915
• Reaxy-Rn: 113915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113915&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 Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: pyrrolidinone - dicarboximide

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: Slightly soluble in water; Degree of Solubility in water: 14 g/l 25 °C; Soluble in Acetone; Slightly soluble in Benzene; Very slightly soluble in Chloroform,Ether
• Sensitivity: Heat, Light and Moisture sensitive
• Flash Point(°F): > 230 °F
• Flash Point(°C): > 110 °C
• Melt Point(°C): 144 - 150 °C
• Molecular Weight: 133.530 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 132.993 Da
• Monoisotopic Mass: 132.993 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 129.000
• 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

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