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

CAS: 2252-63-3 Cat. No.: W133117 Molecular Weight: 180.22 EC Number: 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

Overview

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

Specifications

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-

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CN(CCN1)C2=CC=C(C=C2)F
• WGK Germany: 2
• PubChem CID: 75260
• Molecular Weight: 180.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.5600
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 118-123 °C/0.1 mmHg (lit.)
• Melt Point(°C): 30-33 °C (lit.)
• Molecular Weight: 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