3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride - ≥98% , CAS No.502496-23-3

CAS: 502496-23-3 Cat. No.: B102565 Molecular Weight: 280.6 EC Number: 642-542-6 PubChem CID: 12494556

GRADE & PURITY ≥98%

Synonyms

1-(3,5-bis(trifluoromethyl)phenyl)hydrazine hydrochloride;3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride | AKOS005063629 | MFCD03094165 | [3,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride | AC-5969 | GS-3639 | (3,5-Bis(trifluoromethyl)phenyl)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(3, 5-bis(trifluoromethyl)phenyl)hydrazine hydrochloride;3, 5-Bis(trifluoromethyl)phenylhydrazine hydrochloride | AKOS005063629 | MFCD03094165 | [3, 5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride | AC-5969 | GS-3639 | (3, 5-Bis(trifluoromethyl)phenyl)

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488198132
• Canonical Smiles: C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F.Cl
• IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]hydrazine;hydrochloride
• InChIKey: OPIOKSFIERNABH-UHFFFAOYSA-N
• INCHI: 1S/C8H6F6N2.ClH/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;/h1-3,16H,15H2;1H
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F.Cl
• PubChem CID: 12494556
• Molecular Weight: 280.6

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 Organofluorides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Phenylhydrazine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - 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): 208°C
• Molecular Weight: 280.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 280.02 Da
• Monoisotopic Mass: 280.02 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 17
• 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: 2

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