2-Hydrazino-4-(trifluoromethyl)pyrimidine - ≥98% , CAS No.197305-97-8

CAS: 197305-97-8 Cat. No.: H123169 Peso molecular: 178.12 Número EC: 624-566-9

GRADE & PURITY ≥98%

Synonyms

N-[4-(Trifluoromethyl)pyrimidin-2-yl]hydrazine | TD8157 | SB57280 | 2-HYDRAZINYL-4-(TRIFLUOROMETHYL)PYRIMIDINE | MFCD00115112 | 1-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine | 2-hydrazino-4(trifluoromethyl)pyrimidine | 2-Hydrazino-4-(trifluoromethyl)pyri

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-[4-(Trifluoromethyl)pyrimidin-2-yl]hydrazine | TD8157 | SB57280 | 2-HYDRAZINYL-4-(TRIFLUOROMETHYL)PYRIMIDINE | MFCD00115112 | 1-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine | 2-hydrazino-4(trifluoromethyl)pyrimidine | 2-Hydrazino-4-(trifluoromethyl)pyri

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760439
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760439
• Sonrisas canónicas: C1=CN=C(N=C1C(F)(F)F)NN
• IUPAC Name: [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
• InChIKey: XQCAINVUBSAUBJ-UHFFFAOYSA-N
• INCHI: 1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)
• Isómeros SMILES: C1=CN=C(N=C1C(F)(F)F)NN
• WGK Alemania: 3
• Peso molecular: 178.12
• Reaxy-Rn: 8311541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8311541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrazine derivative - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in aqueous acid.
• Punto de fusión (°C): 99-101°C
• Peso molecular: 178.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 178.047 Da
• Monoisotopic Mass: 178.047 Da
• Topological Polar Surface Area: 63.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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

Referencias

1. Jia-yu Xu, Xue-bin Bi, Sha-sha Luo, Yue Huang, Chen-yu Wang, Chang-chun Wen, Rui-xue Liu, Yan-cheng Liu, Hong Liang.  (2025)  Three cobalt(II) complexes containing pyrimidylanthrahydrazone ligands: Synthesis, crystal structure, DNA binding, anticancer activity and structure-activity relationship.  JOURNAL OF INORGANIC BIOCHEMISTRY,      [PMID:41337829] [10.1016/j.jinorgbio.2025.113158]