Methylaminoformyl chloride - ≥90% , CAS No.6452-47-7

CAS: 6452-47-7 Cat. No.: M304270 Molecular Weight: 93.51 EC Number: 229-253-7

GRADE & PURITY ≥90%

Synonyms

Methylaminoformyl chloride|6452-47-7|methylcarbamic chloride|N-methylcarbamoyl chloride|Methylcarbamoyl chloride|N-Methylaminoformyl chloride|Methylcarbamoylchloride|MFCD08703300|EINECS 229-253-7|methylcarbamicchloride|methylcarbamyl chloride|NSC 133003|M

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Methylaminoformyl chloride | 6452-47-7 | methylcarbamic chloride | N-methylcarbamoyl chloride | Methylcarbamoyl chloride | N-Methylaminoformyl chloride | Methylcarbamoylchloride | MFCD08703300 | EINECS 229-253-7 | methylcarbamicchloride | methylcarbamyl chloride | NSC 133003 | M

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

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

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CNC(=O)Cl
• IUPAC Name: N-methylcarbamoyl chloride
• InChIKey: GRRYSIXDUIAUGY-UHFFFAOYSA-N
• INCHI: 1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)
• Isomeric SMILES: CNC(=O)Cl
• Molecular Weight: 93.51
• Reaxy-Rn: 635781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamic acid halides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamic acid halides
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Carbamic acid halide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbamic acid halides. These are compounds containing a carbamic acid derivative linked to a halogen atom.
• 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: Air & Moisture sensitive
• Molecular Weight: 93.510 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 92.9981 Da
• Monoisotopic Mass: 92.9981 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• 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: 1