Trifluoroacetanilide - analytical standard , CAS No.404-24-0

CAS: 404-24-0 Cat. No.: T112588 Summenformel: C₈H₆F₃NO Molekulargewicht: 189.14 EG-Nummer: 206-965-6 PubChem CID: 67881

GRADE & PURITY Analytical standard

Synonyms

Acetanilide, 2,2,2-trifluoro- | FT-0680636 | NCGC00172620-01 | J-506764 | DTXSID30193398 | HMS1474P07 | NSC9474 | NSC-9474 | 2,2,2-Trifluoroacetanilide | SR-01000400085 | 2,2,2-Trifluoro-N-phenylacetamide | 2,2,2-trifluoro-N-phenyl-acetamide | ChemDiv3_00

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Acetanilide, 2,2,2-trifluoro- | FT-0680636 | NCGC00172620-01 | J-506764 | DTXSID30193398 | HMS1474P07 | NSC9474 | NSC-9474 | 2,2,2-Trifluoroacetanilide | SR-01000400085 | 2,2,2-Trifluoro-N-phenylacetamide | 2,2,2-trifluoro-N-phenyl-acetamide | ChemDiv3_00

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)NC(=O)C(F)(F)F

IUPAC Name

2,2,2-trifluoro-N-phenylacetamide

InChIKey

SAPQIENQEZURNZ-UHFFFAOYSA-N

INCHI

1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)

Isomere SMILES

C1=CC=C(C=C1)NC(=O)C(F)(F)F

PubChem CID

67881

Molekulargewicht

189.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 87.6°C
• Molekulargewicht: 189.130 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.04 Da
• Monoisotopic Mass: 189.04 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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