231231
2-Methoxybenzonitrile
99%
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About This Item
Linear Formula:
CH3OC6H4CN
CAS Number:
Molecular Weight:
133.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
229-559-0
MDL number:
Assay:
99%
Form:
liquid
InChI key
FSTPMFASNVISBU-UHFFFAOYSA-N
InChI
1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
SMILES string
COc1ccccc1C#N
assay
99%
form
liquid
refractive index
n20/D 1.5465 (lit.)
bp
135 °C/12 mmHg (lit.)
density
1.093 g/mL at 25 °C (lit.)
functional group
nitrile
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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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.
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
[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)
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