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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

231231-5G:4548173121178
231231-25G:4548173121161
231231-BULK:
231231-VAR:

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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)
[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)
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

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