4-Methoxybenzonitrile

4-Methoxybenzonitrile Structure
4-Methoxybenzonitrile structure
Common Name 4-Methoxybenzonitrile
CAS Number 874-90-8 Molecular Weight 133.147
Density 1.1±0.1 g/cm3 Boiling Point 256.5±0.0 °C at 760 mmHg
Molecular Formula C8H7NO Melting Point 57-59 °C(lit.)
MSDS Chinese USA Flash Point 104.3±13.7 °C
Symbol GHS07
GHS07
Signal Word Warning

Vibrational analysis of substituted benzonitriles. III. Transferability of force constants--the case of some halogeno-, methoxy- and nitro-benzonitriles.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 53A(12) , 2041-8, (1997)

A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for 2-chloro, 6-fluorobenzonitrile, s-trichlorobenzonitrile, p- and m-methoxybenzonitriles and m-nitrobenzonitrile, transferring the force constants from our ear...

Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 71(3) , 1074-9, (2008)

The SERS modelling of o-, m-, and p-methoxybenzonitrile has been performed following the same methodology that in Part I. Optimized structure obtained from DFT calculations in a B3LYP-LANL2DZ level of calculation shows different tilted positions for the isome...

[Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].

Yakugaku Zasshi 100(6) , 668-71, (1980)

Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.

J. Org. Chem. 74(5) , 1964-70, (2009)

Diisopropylaminoborane [BH(2)N(iPr)(2)] in the presence of a catalytic amount of lithium borohydride (LiBH(4)) reduces a large variety of aliphatic and aromatic nitriles in excellent yields. BH(2)N(iPr)(2) can be prepared by two methods: first by reacting dii...

Statistical copolymers with side-chain hole and electron transport groups for single-layer electroluminescent device applications. Jiang X, et al.

Chem. Mater. 12(9) , 2542-2549, (2000)