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145300

3,4-(Methylenedioxy)phenylacetonitrile

99%

Synonym(s):

1,3-Benzodioxole-5-acetonitrile, Homopiperonylnitrile

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About This Item

Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
4439-02-5
Molecular Weight:
161.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848716
EC Number:
224-655-9
Beilstein/REAXYS Number:
7739
MDL number:
MFCD00005835
Assay:
99%
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Quality Segment

100

assay

99%

mp

43-45 °C (lit.)

functional group

nitrile

SMILES string

N#CCc1ccc2OCOc2c1

InChI

1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2

InChI key

ZQPBOYASBNAXOZ-UHFFFAOYSA-N

General description

3,4-(Methylenedioxy)phenylacetonitrile undergoes hydrolysis catalyzed by nitrilase ZmNIT2 enzyme from maize.

Application

3,4-(Methylenedioxy)phenylacetonitrile was used in synthesis of derrubone. It was used as standard to analyze the seized methamphetamine samples showing unique profiles of stable isotopic compositions by isotope ratio mass spectrometry.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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