Skip to Content
Merck
CN

169986

4-Methoxyphenylacetonitrile

97%

Synonym(s):

4-Methoxybenzyl cyanide

Sign In to View Organizational & Contract Pricing.

Select a Size

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%

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

InChI key

PACGLQCRGWFBJH-UHFFFAOYSA-N

InChI

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

SMILES string

COc1ccc(CC#N)cc1

assay

97%

Quality Level

200

bp

286-287 °C (lit.)

density

1.085 g/mL at 25 °C (lit.)

functional group

nitrile

Looking for similar products? Visit Product Comparison Guide

Related Categories

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCB9482
BCBQ4043V
BCBC9913V
BCBC9913
1451492

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Brominated benzeneacetonitriles, the dibromotyrosine metabolites from the sponge Psammaplysilla purpurea.
Venkateswarlu Y and Chavakula R.
Journal of Natural Products, 58(7), 1087-1088 (1995)
Uwe Albrecht et al.
Bioorganic & medicinal chemistry, 13(14), 4402-4407 (2005-05-21)
2-Alkylidenethiazolidine-4,5-diones were prepared by novel one-pot cyclizations of arylacetonitriles with isothiocyanates and ethyl 2-chloro-2-oxoacetate. The products show antibiotic activity against the Gram-positive bacteria Bacillus subtilis and Staphylococcus aureus.
Kavya S Keremane et al.
Photochemistry and photobiology, 97(2), 289-300 (2020-10-02)
Developing effective and low-cost organic hole-transporting materials (HTMs) is crucial for the construction of high-performance perovskite solar cells (PSCs) and to promote their production in commercial ventures. In this context, we herein report the molecular design, synthesis and characterization of
Byung Seok Moon et al.
Bioorganic & medicinal chemistry, 17(9), 3479-3488 (2009-04-11)
We have investigated halogen-substituted non-steroidal estrogens with selective binding affinity for the estrogen receptor beta (ERbeta that might be used for imaging the levels of this ER-subtype in breast tumors by positron emission tomography (PET). Based on diarylpropionitrile (DPN, 1a)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service