1-(2-Trifluoromethylphenyl)piperazine - ≥98% , CAS No.63854-31-9

CAS: 63854-31-9 Cat. No.: T139130 Molecular Weight: 230.23 EC Number: 264-514-9 PubChem CID: 2777670

GRADE & PURITY ≥98%

Synonyms

Piperazine, 1-[2-(trifluoromethyl)phenyl]- | 1-(2-trifluoromethylphenyl)-piperazine, AldrichCPR | SCHEMBL231778 | 2-(1-Piperazinyl)benzotrifluoride | FS-4636 | 1-(trifluoromethylphenyl) piperazine | 5-(4-piperidyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxad

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Piperazine, 1-[2-(trifluoromethyl)phenyl]- | 1-(2-trifluoromethylphenyl)-piperazine, AldrichCPR | SCHEMBL231778 | 2-(1-Piperazinyl)benzotrifluoride | FS-4636 | 1-(trifluoromethylphenyl) piperazine | 5-(4-piperidyl)-3-[3-(trifluoromethyl)phenyl]-1, 2, 4-oxad

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488193751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193751
• Canonical Smiles: C1CN(CCN1)C2=CC=CC=C2C(F)(F)F
• IUPAC Name: 1-[2-(trifluoromethyl)phenyl]piperazine
• InChIKey: VZUBMIDXJRGARE-UHFFFAOYSA-N
• INCHI: 1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
• Isomeric SMILES: C1CN(CCN1)C2=CC=CC=C2C(F)(F)F
• PubChem CID: 2777670
• Molecular Weight: 230.23
• Reaxy-Rn: 4189427

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 Trifluoromethylbenzenes Dialkylarylamines Aniline and substituted anilines Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Alkyl halide - Organopnictogen compound - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.5
• Flash Point(°C): 134 °C
• Molecular Weight: 230.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 230.103 Da
• Monoisotopic Mass: 230.103 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 224.000
• 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