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

CAS: 128-09-6 Cat. No.: C105072 Formula: C₄H₄ClNO₂ 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 128-09-6, the molecular formula is C4H4ClNO2, and the molecular weight is 133.53 g/mol. InChIKey JRNVZBWKYDBUCA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.