4-Cyanobenzohydrazide - ≥95% , CAS No.43038-36-4

CAS: 43038-36-4 Cat. No.: C193387 Peso molecular: 161.16 Número EC: 801-759-8

GRADE & PURITY ≥95%

Synonyms

4CNPhCON2 | 4-cyanobenzhydrazide | 4-cyanobenzohydrazide | 4-cyano-benzohydrazide | MFCD03014503 | 4-Cyanobenzoylhydrazine | 4-cyano-benzoic acid hydrazide | SCHEMBL221653 | 4-Cyanobenzoic acid, hydrazide | Benzoic acid, 4-cyano-, hydrazide (9CI) | DTXSID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4CNPhCON2 | 4-cyanobenzhydrazide | 4-cyanobenzohydrazide | 4-cyano-benzohydrazide | MFCD03014503 | 4-Cyanobenzoylhydrazine | 4-cyano-benzoic acid hydrazide | SCHEMBL221653 | 4-Cyanobenzoic acid, hydrazide | Benzoic acid, 4-cyano-, hydrazide (9CI) | DTXSID

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C#N)C(=O)NN
• IUPAC Name: 4-cyanobenzohydrazide
• InChIKey: PJWRZYGGTHXGQO-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,10H2,(H,11,12)
• Isómeros SMILES: C1=CC(=CC=C1C#N)C(=O)NN
• Peso molecular: 161.16
• Reaxy-Rn: 1948185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948185&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Benzonitriles Carboxylic acid hydrazides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Benzonitrile - Carboxylic acid hydrazide - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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

• Peso molecular: 161.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.059 Da
• Monoisotopic Mass: 161.059 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 210.000
• 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