4'-Fluoroacetanilide - ≥95% , CAS No.351-83-7

CAS: 351-83-7 Cat. No.: F579463 Formula: C₈H₈FNO Peso molecolare: 153.16 Beilstein Registry Number: 2208090 Numero EC: 206-515-9

GRADE & PURITY ≥95%

Synonyms

4-Fluoroacetanilide|351-83-7|N-(4-FLUOROPHENYL)ACETAMIDE|4'-Fluoroacetanilide|p-Fluoroacetanilide|Acetamide, N-(4-fluorophenyl)-|Acetanilide, 4'-fluoro-|55Y67URK6W|NSC-10349|N-p-Fluorophenylacetamide|EINECS 206-515-9|NSC 10349|BRN 2208090|1-Acetamido-4-fl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-Fluoroacetanilide | 351-83-7 | N-(4-FLUOROPHENYL)ACETAMIDE | 4'-Fluoroacetanilide | p-Fluoroacetanilide | Acetamide, N-(4-fluorophenyl)- | Acetanilide, 4'-fluoro- | 55Y67URK6W | NSC-10349 | N-p-Fluorophenylacetamide | EINECS 206-515-9 | NSC 10349 | BRN 2208090 | 1-Acetamido-4-fl

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

508809128

Sorrisi canonici

CC(=O)NC1=CC=C(C=C1)F

IUPAC Name

N-(4-fluorophenyl)acetamide

InChIKey

JHEFOJNPLXSWNZ-UHFFFAOYSA-N

INCHI

1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

Isomeri SMILES

CC(=O)NC1=CC=C(C=C1)F

RTECS

AE2977000

Peso molecolare

153.16

Beilstein

2208090

Reaxy-Rn

2208090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208090&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 151-153°C
• Peso molecolare: 153.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.059 Da
• Monoisotopic Mass: 153.059 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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