2-Chloro-N-methoxy-N-methylacetamide - ≥98% , CAS No.67442-07-3

CAS: 67442-07-3 Cat. No.: C124448 Molecular Weight: 137.56 Beilstein Registry Number: 1924015 EC Number: 629-377-5

GRADE & PURITY ≥98%

Synonyms

2V3FHW6LWF | a-Chloro-N-methoxy-N-methylacetamide | C2272 | EC 629-377-5 | DTXSID90370461 | 2-Chloro-N-methoxy-N-methyl acetamide | AKOS005207299 | SCOJKGRNQDKFRP-UHFFFAOYSA-N | UNII-2V3FHW6LWF | STR09629 | SY002384 | A835752 | .ALPHA.-CHLORO-N-METHOXY-N-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2V3FHW6LWF | a-Chloro-N-methoxy-N-methylacetamide | C2272 | EC 629-377-5 | DTXSID90370461 | 2-Chloro-N-methoxy-N-methyl acetamide | AKOS005207299 | SCOJKGRNQDKFRP-UHFFFAOYSA-N | UNII-2V3FHW6LWF | STR09629 | SY002384 | A835752 | .ALPHA.-CHLORO-N-METHOXY-N-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761190
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761190
• Canonical Smiles: CN(C(=O)CCl)OC
• IUPAC Name: 2-chloro-N-methoxy-N-methylacetamide
• InChIKey: SCOJKGRNQDKFRP-UHFFFAOYSA-N
• INCHI: 1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
• Isomeric SMILES: CN(C(=O)CCl)OC
• WGK Germany: 3
• Molecular Weight: 137.56
• Beilstein: 1924015
• Reaxy-Rn: 1924015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924015&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids and derivatives
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids and derivatives. These are compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof.
• 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: Soluble in Methanol
• Sensitivity: Heat Sensitive
• Flash Point(°F): 219.2 °F
• Flash Point(°C): 104 °C
• Boil Point(°C): 95°C/9mmHg
• Melt Point(°C): 39°C
• Molecular Weight: 137.560 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.024 Da
• Monoisotopic Mass: 137.024 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.100
• 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