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169986

Sigma-Aldrich

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
Beilstein:
509162
EC Number:
203-206-0
MDL number:
MFCD00001919
UNSPSC Code:
12352100
PubChem Substance ID:
24850283
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.531 (lit.)

bp

286-287 °C (lit.)

density

1.085 g/mL at 25 °C (lit.)

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

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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

Signal Word

Danger

Hazard Statements

H301,H412

Precautionary Statements

P273 - P301 + P310 + P330

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 3

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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