3,5-Bis(trifluoromethyl)benzhydrazide - ≥97% , CAS No.26107-82-4

CAS: 26107-82-4 Cat. No.: B770232 Molecular Weight: 272.15 Beilstein Registry Number: 2596448 EC Number: 247-462-1 PubChem CID: 100265

GRADE & PURITY ≥97%

Synonyms

3,5-Bis(trifluoromethyl)benzhydrazide | 3,5-Bis(trifluoromethyl)benzohydrazide | Benzoic acid, 3,5-bis(trifluoromethyl)-, hydrazide | 3,5-di(Trifluoromethyl)benzhydrazide

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

3, 5-Bis(trifluoromethyl)benzhydrazide | 3, 5-Bis(trifluoromethyl)benzohydrazide | Benzoic acid, 3, 5-bis(trifluoromethyl)-, hydrazide | 3, 5-di(Trifluoromethyl)benzhydrazide

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN
• IUPAC Name: 3,5-bis(trifluoromethyl)benzohydrazide
• InChIKey: GBBRFBSFWKFTMZ-UHFFFAOYSA-N
• INCHI: 1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(18)17-16)2-6(3-5)9(13,14)15/h1-3H,16H2,(H,17,18)
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN
• PubChem CID: 100265
• Molecular Weight: 272.15
• Beilstein: 2596448

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: Benzoic acids and derivatives Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoyl - Carboxylic acid hydrazide - Carboxylic acid derivative - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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: Moisture sensitive
• Molecular Weight: 272.150 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 272.038 Da
• Monoisotopic Mass: 272.038 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 291.000
• 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