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169986

4-Methoxyphenylacetonitrile

97%

Synonym(s):

4-Methoxybenzyl cyanide

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About This Item

Linear Formula:
CH3OC6H4CH2CN
CAS Number:
104-47-2
Molecular Weight:
147.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850283
EC Number:
203-206-0
Beilstein/REAXYS Number:
509162
MDL number:
MFCD00001919
Assay:
97%
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Quality Segment

200

assay

97%

refractive index

n20/D 1.531 (lit.)

bp

286-287 °C (lit.)

density

1.085 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

COc1ccc(CC#N)cc1

InChI

1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

InChI key

PACGLQCRGWFBJH-UHFFFAOYSA-N

General description

4-Methoxyphenylacetonitrile has been isolated from the sponge Psammaplysilla purpurea.

Application

4-Methoxyphenylacetonitrile was used as starting reagent in the synthesis of :
  • 2-(1-cyano-1-(2-methoxy)phenyl)methylidene-3-phenylthiazolidine-4,5-dione
  • 2-(1-cyano-1-(4-methoxy)-phenyl)methylidene-3-phenylthiazolidine-4,5-dione
  • α-cyanostilbenes

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301,H412

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 3

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

242.6 °F - DIN 51758

flash_point_c

117 °C - DIN 51758

ppe

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

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