231231

Sigma-Aldrich

2-Methoxybenzonitrile

99%

Linear Formula:
CH3OC6H4CN
CAS Number:
Molecular Weight:
133.15
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

refractive index

n20/D 1.5465 (lit.)

bp

135 °C/12 mmHg (lit.)

density

1.093 g/mL at 25 °C (lit.)

SMILES string

COc1ccccc1C#N

InChI

1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3

InChI key

FSTPMFASNVISBU-UHFFFAOYSA-N

Related Categories

General description

Surface-enhanced Raman spectra study of 2-methoxybenzonitrile has been reported.

Application

2-Methoxybenzonitrile was used in the synthesis of 5-(4′-methyl [1,1′-biphenyl]-2-yl)-1H-tetrazole.

Packaging

5, 25 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Efficient synthesis of 5-(4'-methyl [1, 1'-biphenyl]-2-yl)-1H-tetrazole.
Russell RK and Murray WV.
The Journal of Organic Chemistry, 58(18), 5023-5024 (1993)
Guillermo Diaz Fleming et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(3), 1074-1079 (2008-04-29)
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 isomers under study....
[Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].
H Kashiwagi et al.
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 100(6), 668-671 (1980-06-01)
Leandro Val Sayson et al.
Psychopharmacology, 236(7), 2201-2210 (2019-03-21)
Depressive syndrome or depression is a debilitating brain disorder affecting numerous people worldwide. Although readily available, current antidepressants have low remission rates and late onset times. Recently, N-methyl-D-aspartate (NMDA) receptor antagonists, like ketamine and methoxetamine (MXE), were found to elicit...

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