2-Cyanobenzaldehyde - ≥98% , CAS No.7468-67-9

CAS: 7468-67-9 Cat. No.: C107958 Peso molecular: 131.13 Número EC: 628-601-9

GRADE & PURITY ≥98%

Synonyms

cyanobenzaldehyde | Benzonitrile, 2-formyl- | 2-Formylbenzonitrile | 2-formyl-benzonitrile | 2-Cyanobenzaldehyde, 98% | MFCD00017503 | SCHEMBL98563 | o-Cyanobenzaldehyde | NSC 400131 | 2-Cyanobenzaldehyde | ORTHO-CYANOBENZALDEHYDE | 2-cyano-benzaldehyde

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Aldol addition of enolizable 1,3-dicarbonyl compounds to 2-cyanobenzaldehyde in the presence of a tertiary amine has been reported. Biotransformation of 2-cyanobenzaldehyde by Euglena gracilis Z cultured photohetero-trophically has been reported.

Application：

2-Cyanobenzaldehyde may be used:

in the base-catalyzed one-pot synthesis of 3-substituted isoindolinones；

in the synthesis of 3-oxo-2,3-dihydro-1H-isoindoles, via Baylis-Hillman reaction；

in the synthesis of 3-(N-substituted amino)-1-isoindolenones

Specifications

Sinónimos

cyanobenzaldehyde | Benzonitrile, 2-formyl- | 2-Formylbenzonitrile | 2-formyl-benzonitrile | 2-Cyanobenzaldehyde, 98% | MFCD00017503 | SCHEMBL98563 | o-Cyanobenzaldehyde | NSC 400131 | 2-Cyanobenzaldehyde | ORTHO-CYANOBENZALDEHYDE | 2-cyano-benzaldehyde

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187244
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187244
• Sonrisas canónicas: C1=CC=C(C(=C1)C=O)C#N
• IUPAC Name: 2-formylbenzonitrile
• InChIKey: QVTPWONEVZJCCS-UHFFFAOYSA-N
• INCHI: 1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
• Isómeros SMILES: C1=CC=C(C(=C1)C=O)C#N
• WGK Alemania: 3
• Número ONU: 3439
• Peso molecular: 131.13
• Reaxy-Rn: 2353599
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2353599&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzonitriles Benzaldehydes Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzonitrile - Benzaldehyde - Aryl-aldehyde - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: air&light sensitive
• Punto de fusión (°C): 103-105°
• Peso molecular: 131.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 131.037 Da
• Monoisotopic Mass: 131.037 Da
• Topological Polar Surface Area: 40.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 167.000
• 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

Referencias

1. Ying Wang, Zaiwen Lin, Yan Song, Haotian Wu, Jing Yu, Jiahui Zhu, Qi Liu, Ying Li, Shusen Chen, Jun Wang.  (2024)  Enhancing uranium adsorption performance through the introduction of a electron conjugation system on amidoximated phenyl natural bamboo strips.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126389]