N-(4-Fluorophenyl)formamide - ≥98%(GC) , CAS No.459-25-6

CAS: 459-25-6 Cat. No.: N159255 Summenformel: C₇H₆FNO Molekulargewicht: 139.13 Beilstein Registry Number: 12(4)1106 EG-Nummer: 653-266-0

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00021019 | 4'-Fluoroformanilide | DTXSID20285115 | EN300-171500 | N-Formyl derivative of p-fluoroaniline | GEO-03008 | 1-Fluoro-4-formamidobenzene | Formamide, N-(4-fluorophenyl)- | p-Fluor-formanilid | F0546 | AS-59113 | SCHEMBL21039201 | 4-fluorophe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD00021019 | 4'-Fluoroformanilide | DTXSID20285115 | EN300-171500 | N-Formyl derivative of p-fluoroaniline | GEO-03008 | 1-Fluoro-4-formamidobenzene | Formamide, N-(4-fluorophenyl)- | p-Fluor-formanilid | F0546 | AS-59113 | SCHEMBL21039201 | 4-fluorophe

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488188896
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188896
• Kanonisches Lächeln: C1=CC(=CC=C1NC=O)F
• IUPAC Name: N-(4-fluorophenyl)formamide
• InChIKey: BUPDLPLGFRDHSJ-UHFFFAOYSA-N
• INCHI: 1S/C7H6FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)
• Isomere SMILES: C1=CC(=CC=C1NC=O)F
• Molekulargewicht: 139.13
• Beilstein: 12(4)1106
• Reaxy-Rn: 2802371
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802371&ln=

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 Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 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
• 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): 67 °C
• Molekulargewicht: 139.130 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.043 Da
• Monoisotopic Mass: 139.043 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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