(4-Chloro-2-(trifluoromethyl)phenyl)hydrazine - ≥95% , CAS No.1513-34-4

CAS: 1513-34-4 Cat. No.: C1368745 PubChem CID: 2778240

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1Cl)C(F)(F)F)NN
• IUPAC Name: [4-chloro-2-(trifluoromethyl)phenyl]hydrazine
• InChIKey: SIILNUCRHAEFQZ-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClF3N2/c8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-3,13H,12H2
• Isomeric SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)NN
• Alternate CAS: 1513-34-4
• PubChem CID: 2778240

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 Chlorobenzenes Aryl chlorides Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organofluoride - Organochloride - Organohalogen compound - Hydrazine derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Hydrocarbon derivative - 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

• Molecular Weight: 210.580 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 210.017 Da
• Monoisotopic Mass: 210.017 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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