3,5-Bis(trifluoromethyl)phenylhydrazine - ≥97% , CAS No.886-35-1

CAS: 886-35-1 Cat. No.: B122784 Molecular Weight: 244.141 Beilstein Registry Number: 1843213 EC Number: 642-543-1

GRADE & PURITY ≥97%

Synonyms

N11987 | 3,5-Bis(trifluoromethyl)phenylhydrazine | 3,5-bis-(trifluoromethyl)phenylhydrazine | FS-4414 | Hydrazine, [3,5-bis(trifluoromethyl)phenyl]- | AC-4202 | FT-0614476 | SCHEMBL998165 | (3,5-bis(trifluoromethyl)phenyl)hydrazine | FT-0614475 | 1-[3,5-B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N11987 | 3, 5-Bis(trifluoromethyl)phenylhydrazine | 3, 5-bis-(trifluoromethyl)phenylhydrazine | FS-4414 | Hydrazine, [3, 5-bis(trifluoromethyl)phenyl]- | AC-4202 | FT-0614476 | SCHEMBL998165 | (3, 5-bis(trifluoromethyl)phenyl)hydrazine | FT-0614475 | 1-[3, 5-B

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F
• IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]hydrazine
• InChIKey: OULWACKZBGBRNT-UHFFFAOYSA-N
• INCHI: 1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F
• Molecular Weight: 244.141
• Beilstein: 1843213
• Reaxy-Rn: 1843213
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1843213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Phenylhydrazines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Phenylhydrazine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrazine derivative - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

• Melt Point(°C): 80-83°C
• Molecular Weight: 244.140 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 244.044 Da
• Monoisotopic Mass: 244.044 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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