2′,4′-Dichloroacetanilide - ≥98% , CAS No.6975-29-7

CAS: 6975-29-7 Cat. No.: D338177 Formula: C₈H₇Cl₂NO Peso molecolare: 204.05 Numero EC: 615-004-3

GRADE & PURITY ≥98%

Synonyms

N-(2,4-Dichlorophenyl)acetamide | NSC 22365 | 2,4-Dichloroacetanilide | BRN 2092372 | NSC22365

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

N-(2,4-Dichlorophenyl)acetamide | NSC 22365 | 2,4-Dichloroacetanilide | BRN 2092372 | NSC22365

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528755036
• Sorrisi canonici: CC(=O)NC1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: N-(2,4-dichlorophenyl)acetamide
• InChIKey: GZSGTFDLLISMMA-UHFFFAOYSA-N
• INCHI: 1S/C8H7Cl2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
• Isomeri SMILES: CC(=O)NC1=C(C=C(C=C1)Cl)Cl
• Peso molecolare: 204.05
• Reaxy-Rn: 2092372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Acetanilides
          • Level6 Haloacetanilides
            • Level7 O-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: O-haloacetanilides
• Alternative Parents: P-haloacetanilides N-acetylarylamines Dichlorobenzenes Aryl chlorides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-haloacetanilide - P-haloacetanilide - N-acetylarylamine - 1,3-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with 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

Proprietà chimiche e fisiche

• Peso molecolare: 204.050 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 202.99 Da
• Monoisotopic Mass: 202.99 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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