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

CAS: 26107-82-4 Cat. No.: B770232 Peso molecular: 272.15 Beilstein Registry Number: 2596448 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN
• PubChem CID: 100265
• Peso molecular: 272.15
• Beilstein: 2596448

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 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