1-(4-Fluorophenyl)piperazine - ≥98% , CAS No.2252-63-3

CAS: 2252-63-3 Cat. No.: W133117 Peso molecular: 180.22 Número EC: 218-846-6 PubChem CID: 75260

GRADE & PURITY ≥98%

Synonyms

UNII-VML61BE244 | A4824 | LF-0570 | SCHEMBL233425 | STK397535 | EINECS 218-846-6 | AC-3326 | 1 -(4-fluoro-phenyl)-piperazine | 1-(4-fluoro phenyl) piperazine | 1-(4- fluorophenyl)-piperazine | AKOS000101161 | Sulfuryl fluorochloride | PD048067 | SDCCGMLS-

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

1-(4-Fluorophenyl)piperazine was used in the synthesis of N,N-disubstituted piperazine

Specifications

Sinónimos

UNII-VML61BE244 | A4824 | LF-0570 | SCHEMBL233425 | STK397535 | EINECS 218-846-6 | AC-3326 | 1 -(4-fluoro-phenyl)-piperazine | 1-(4-fluoro phenyl) piperazine | 1-(4- fluorophenyl)-piperazine | AKOS000101161 | Sulfuryl fluorochloride | PD048067 | SDCCGMLS-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1)C2=CC=C(C=C2)F
• IUPAC Name: 1-(4-fluorophenyl)piperazine
• InChIKey: AVJKDKWRVSSJPK-UHFFFAOYSA-N
• INCHI: 1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
• Isómeros SMILES: C1CN(CCN1)C2=CC=C(C=C2)F
• WGK Alemania: 2
• PubChem CID: 75260
• Peso molecular: 180.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.5600
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 118-123 °C/0.1 mmHg (lit.)
• Punto de fusión (°C): 30-33 °C (lit.)
• Peso molecular: 180.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.106 Da
• Monoisotopic Mass: 180.106 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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