4-Cyanobenzamide - ≥97%(N) , CAS No.3034-34-2

CAS: 3034-34-2 Cat. No.: C153736 Fórmula: C₈H₆N₂O Peso molecular: 146.15 Beilstein Registry Number: 9(4)3327 Número EC: 221-223-1

GRADE & PURITY ≥97%(N)

Synonyms

A5583 | FT-0618296 | 4-09-00-03327 (Beilstein Handbook Reference) | RS-1015 | InChI=1/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11) | EN300-26980 | UNII-3P9UG7V78S | MFCD00017133 | Z33546655 | C1594 | p-Cyanobenzamide | SCHEMBL322070 | 4-Cyanobenzam

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A5583 | FT-0618296 | 4-09-00-03327 (Beilstein Handbook Reference) | RS-1015 | InChI=1/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11) | EN300-26980 | UNII-3P9UG7V78S | MFCD00017133 | Z33546655 | C1594 | p-Cyanobenzamide | SCHEMBL322070 | 4-Cyanobenzam

Especificaciones y pureza

≥97%(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(N)

Nombres e identificadores

Pubchem Sid

504755059

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755059

Sonrisas canónicas

C1=CC(=CC=C1C#N)C(=O)N

IUPAC Name

4-cyanobenzamide

InChIKey

FUKWTMJZHKZKFA-UHFFFAOYSA-N

INCHI

1S/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11)

Isómeros SMILES

C1=CC(=CC=C1C#N)C(=O)N

RTECS

CV2484500

Peso molecular

146.15

Beilstein

9(4)3327

Reaxy-Rn

2043265

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043265&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: Benzamides
• Alternative Parents: Benzoyl derivatives Benzonitriles Primary carboxylic acid amides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzonitrile - Benzoyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido 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

• Punto de fusión (°C): 224-228℃
• Peso molecular: 146.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 195.000
• 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