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Merck
CN

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

Key Documents

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Product Name

4-Methoxyphenylacetonitrile, 97%

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%

refractive index

n20/D 1.531 (lit.)

bp

286-287 °C (lit.)

density

1.085 g/mL at 25 °C (lit.)

functional group

nitrile

Quality Level

200

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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

General description

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

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCB9482
BCBQ4043V
BCBC9913V
BCBC9913
1451492

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Brominated benzeneacetonitriles, the dibromotyrosine metabolites from the sponge Psammaplysilla purpurea.
Venkateswarlu Y and Chavakula R.
Journal of Natural Products, 58(7), 1087-1088 (1995)
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
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.
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)

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