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

CAS: 7468-67-9 Cat. No.: C107958 Summenformel: C₈H₅NO Molekulargewicht: 131.13 EG-Nummer: 628-601-9

QUALITÄT & REINHEIT ≥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

Übersicht

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488187244

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

UN-Nummer

3439

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: air&light sensitive
• Schmelzpunkt (°C): 103-105°
• Molekulargewicht: 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