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231231

Sigma-Aldrich

2-Methoxybenzonitrile

99%

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About This Item

Linear Formula:
CH3OC6H4CN
CAS Number:
6609-56-9
Molecular Weight:
133.15
EC Number:
229-559-0
MDL number:
MFCD00001783
UNSPSC Code:
12352100
PubChem Substance ID:
24853849
NACRES:
NA.22

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

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

General description

Surface-enhanced Raman spectra study of 2-methoxybenzonitrile has been reported[1].

Application

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ7307
11817EH
S41037
10426BH
03813TD

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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.
[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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