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190233

3-Methoxybenzonitrile

Name: 3-Methoxybenzonitrile
Brand: ALDRICH

98%

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About This Item

Linear Formula:

CH₃OC₆H₄CN

CAS Number:

1527-89-5

Molecular Weight:

133.15

NACRES:

NA.22

PubChem Substance ID:

24851421

UNSPSC Code:

12352100

EC Number:

216-201-3

MDL number:

MFCD00001801

Assay:

98%

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Properties

assay

98%

refractive index

n20/D 1.5402 (lit.)

bp

111-112 °C/13 mmHg (lit.)

density

1.089 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

COc1cccc(c1)C#N

InChI

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

InChI key

KLXSUMLEPNAZFK-UHFFFAOYSA-N

Description

General description

3-Methoxybenzonitrile undergoes dealkylation on treatment with SiCl₄/LiI and BF₃.

Application

3-Methoxybenzonitrile has been used in the synthesis of new organic pigments which were evaluated as the active medium of the solid-state dye laser.

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312 + H332,H315,H319,H335

pcodes

P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

221.0 °F - closed cup

flash_point_c

105 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Enhanced O-dealkylation activity of SiCl₄/LiI with catalytic amount of BF₃.

Zewge D, et al.

Tetrahedron Letters, 45(19), 115-125 (2004)

Evaluation of new organic pigments as laser-active media for a solid-state dye laser.

Fukuda M, et al.

Dyes and Pigments, 63(2), 115-125 (2004)

[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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Global Trade Item Number

SKU	GTIN
427292-1G	04061832104522
427292-5G	04061832104539
190233-25G	04061836817602
190233-5G	04061836817619