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126349

(3,4-Dimethoxyphenyl)acetonitrile

98%

Synonym(s):

Homoveratronitrile, (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide

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About This Item

Linear Formula:
(CH3O)2C6H3CH2CN
CAS Number:
93-17-4
Molecular Weight:
177.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847718
EC Number:
202-225-1
Beilstein/REAXYS Number:
1956100
MDL number:
MFCD00001911
Assay:
98%
Form:
solid
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Quality Segment

100

assay

98%

form

solid

bp

171-178 °C/10 mmHg (lit.)

mp

62-63.5 °C (lit.)

fluorescence

λex 430 nm; λem 511 nm (pH 7.1)

functional group

nitrile

SMILES string

COc1ccc(CC#N)cc1OC

InChI

1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

InChI key

ASLSUMISAQDOOB-UHFFFAOYSA-N

Application

(3,4-Dimethoxyphenyl)acetonitrile has been used in the synthesis of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. It has also been used in the preparation of modified diterpene (±) nimbidiol which relies on a sulfenium ion promoted polyene cyclization.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

482.0 °F - closed cup

flash_point_c

250 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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