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231231

2-Methoxybenzonitrile

99%

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About This Item

Linear Formula:
CH3OC6H4CN
CAS Number:
6609-56-9
Molecular Weight:
133.15
NACRES:
NA.22
PubChem Substance ID:
24853849
UNSPSC Code:
12352100
EC Number:
229-559-0
MDL number:
MFCD00001783
Assay:
99%
Form:
liquid
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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.

Application

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

pictograms

Exclamation mark
GHS07

signalword

Warning

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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Certificates of Analysis (COA)

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

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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)
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)
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Global Trade Item Number

SKUGTIN
231231-25G04061838783103
231231-5G04061836825850