Dichloromethylenedimethyliminium Chloride - ≥95%(T) , CAS No.33842-02-3

CAS: 33842-02-3 Cat. No.: D155316 Molecular Weight: 162.44 EC Number: 251-695-4

GRADE & PURITY ≥95%(T)

Synonyms

MFCD00011870 | N-dichloromethylene-N,N-dimethylammonium chloride | N-(dichloromethylene)-N-methylmethanaminium chloride | LS-12960 | Dichloromethylene(dimethyl)ammonium chloride | AKOS015913622 | Methanaminium, N-(dichloromethylene)-N-methyl-, chloride |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Dichloromethylene-dimethyliminium chloride (Vilsmeier reagent) reacts with o-acetaminophenols under Meth-Cohn conditions to yield 2-formylpyrido[2,1-b]benzoxazoles。

Specifications

Synonyms

MFCD00011870 | N-dichloromethylene-N, N-dimethylammonium chloride | N-(dichloromethylene)-N-methylmethanaminium chloride | LS-12960 | Dichloromethylene(dimethyl)ammonium chloride | AKOS015913622 | Methanaminium, N-(dichloromethylene)-N-methyl-, chloride |

Specifications & Purity

≥95%(T)

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

≥95%(T)

Names and Identifiers

• Pubchem Sid: 488192224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192224
• Canonical Smiles: C[N+](=C(Cl)Cl)C.[Cl-]
• IUPAC Name: dichloromethylidene(dimethyl)azanium;chloride
• InChIKey: NRNFKRFWZQQDMD-UHFFFAOYSA-M
• INCHI: 1S/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](=C(Cl)Cl)C.[Cl-]
• Molecular Weight: 162.44
• Reaxy-Rn: 4157987
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4157987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Isocyanide dichlorides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Isocyanide dichlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanide dichlorides
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isocyanide dichloride - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organochloride - Organohalogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as isocyanide dichlorides. These are organonitrogen compounds derived from isocyanide, with the general formula RN=C(Cl)Cl (R = organyl).
• 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: Slightly soluble in chloroform
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 183-187 °C
• Molecular Weight: 162.440 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.957 Da
• Monoisotopic Mass: 160.957 Da
• Topological Polar Surface Area: 3.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.900
• 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: 2

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