N-Cyanomethyl-N-methyl-4-nitroaniline TCI C1349

Chemical Identity

CAS No.: 107023-66-5
PubChem: CID 19889016·SID 87566361
Formula: C9H9N3O2
Molecular weight: 191.19 g/mol
Purity: >98.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 2-(N-methyl-4-nitroanilino)acetonitrile
SMILES: CN(CC#N)C1=CC=C(C=C1)[N+](=O)[O-]
InChIKey: DJOYTAUERRJRAT-UHFFFAOYSA-N
MDL: MDL00191337

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Berat 5g

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N-Cyanomethyl-N-methyl-4-nitroaniline (CAS 107023-66-5) from TCI is an organic non-linear optical chromophore available through AMI Scientific. Its push–pull architecture pairs a tertiary amino donor with a para-nitro acceptor, producing strong intramolecular charge transfer and a large molecular dipole. These characteristics make it a useful reference material for second-order NLO studies, second harmonic generation experiments, and solvatochromic spectroscopy. Supplied in a research pack size, it suits characterisation work and the preparation of guest–host polymer films.