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

CAS: 7468-67-9 Cat. No.: C107958 Formule: C₈H₅NO Poids moléculaire: 131.13 Numéro CE: 628-601-9

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187244

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187244

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Numéro ONU

3439

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: air&light sensitive
• Point de fusion (°C): 103-105°
• Poids moléculaire: 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