3-(Trifluoromethyl)phenylhydrazine - ≥97%(GC) , CAS No.368-78-5

CAS: 368-78-5 Cat. No.: T136583 Molecular Weight: 176.14 Beilstein Registry Number: 15(4)1224 EC Number: 206-713-5 PubChem CID: 98650

GRADE & PURITY ≥97%(GC)

Synonyms

BB 0219957 | BBL022182 | 3-(Trifluoromethyl)phenylhydrazine | 3-(trifluoromethyl)-phenylhydrazine | DTXSID60190274 | 3-trifluoromethyl-phenylhydrazine | Enamine_001261 | 3-trifluoromethylphenylhydrazine | A823421 | NSC 157345 | 1-[3-(Trifluoromethyl)pheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Usually used in the synthesis of N-2-diphenylhydrazinecarboxamides and N-2-diphenylhydrazine carbothioamides, having antitubercular and fungicidal activity.

Specifications

Synonyms

BB 0219957 | BBL022182 | 3-(Trifluoromethyl)phenylhydrazine | 3-(trifluoromethyl)-phenylhydrazine | DTXSID60190274 | 3-trifluoromethyl-phenylhydrazine | Enamine_001261 | 3-trifluoromethylphenylhydrazine | A823421 | NSC 157345 | 1-[3-(Trifluoromethyl)pheny

Specifications & Purity

≥97%(GC)

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

≥97%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)NN)C(F)(F)F
• IUPAC Name: [3-(trifluoromethyl)phenyl]hydrazine
• InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N
• INCHI: 1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2
• Isomeric SMILES: C1=CC(=CC(=C1)NN)C(F)(F)F
• PubChem CID: 98650
• Molecular Weight: 176.14
• Beilstein: 15(4)1224
• Reaxy-Rn: 640075

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

• Sensitivity: Air Sensitive
• Refractive Index: 1.51
• Boil Point(°C): 83 °C/9 mmHg
• Molecular Weight: 176.140 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 176.056 Da
• Monoisotopic Mass: 176.056 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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