2-Formylbenzonitrile TCI C0444

Chemical Identity

Other names: 2-Cyanobenzaldehyde
CAS No.: 7468-67-9
PubChem: CID 101209·SID 87565565
Formula: C8H5NO
Molecular weight: 131.13 g/mol
Purity: >99.0%(GC)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 2-formylbenzonitrile
SMILES: C1=CC=C(C(=C1)C=O)C#N
InChIKey: QVTPWONEVZJCCS-UHFFFAOYSA-N
MDL: MDL00017503

Rp 1.829.100,00

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2-Formylbenzonitrile (CAS 7468-67-9) from TCI is the ortho isomer in which the aldehyde and nitrile groups sit adjacent on the aromatic ring. This proximity enables intramolecular cyclization pathways that are difficult to achieve with the meta or para isomers, giving access to isoindolinone, isoquinoline, and phthalazine frameworks. The aldehyde remains available for conventional Schiff base formation, reduction, and olefination, so a single reagent can serve both linear and annulation routes. AMI Scientific supplies this building block in 5 g and 25 g packs for laboratory-scale research.

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J. Intelli (2024). Synthesis of 4-(2,2-Difluorovinyl)benzonitrile through a Wittig-type Olefination of 4-Formylbenzonitrile. Organic Syntheses doi:10.15227/orgsyn.101.0542
Liu et al. (2017). Direct Access to Isoindolin‐1‐one Scaffolds by Copper‐Catalyzed Divergent Cyclizations of 2‐Formylbenzonitrile and Diaryliodonium Salts. Advanced Synthesis & Catalysis doi:10.1002/adsc.201601403
Britton et al. (2006). 2-Formylbenzonitrile. Acta Crystallographica Section C Crystal Structure Communications doi:10.1107/s0108270106013138

References were compiled automatically from Crossref and every DOI was verified to exist. AMI Scientific is not affiliated with the authors or the publishers.