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Home > Product > Boronic Compounds > Other > 2-Cyano-4'-methylbiphenyl

2-Cyano-4'-methylbiphenyl

Catalog Number
ACM114772531
Product Name
2-Cyano-4'-methylbiphenyl
Structure
CAS Number
114772-53-1
Synonyms
AKOS BAR-1203;4-METHYLBIPHENYL-2-CARBONITRILE;4-METHYL-2-BIPHENYLCARBONITRILE;4-METHYL-2-CYANOBIPHENYL;4-METHYL[1,1-BIPHENYL]-2-CARBONITRILE;2-(4-TOLYL)-BENZONITRILE;2-(4-METHYLPHENYL)BENZONITRILE;[2-(P-TOLYL)BENZONITRILE]
Molecular Weight
193.24
Molecular Formula
C14H11N
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1Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.

Sebastian S1, Sundaraganesan N, Karthikeiyan B, Srinivasan V.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Feb;78(2):590-600. doi: 10.1016/j.saa.2010.11.028. Epub 2010 Dec 4.

The Fourier transform infrared (FT-IR) and FT-Raman of 4-methyl-2-cyanobiphenyl (4M2CBP) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) method. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). Read More

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Tel:1-201-478-8534
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Address: 2200 Smithtown Avenue, Room 1 Ronkonkoma, NY 11779-7329 USA