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145300 Sigma-Aldrich

3,4-(Methylenedioxy)phenylacetonitrile

99%

Synonym: 1,3-Benzodioxole-5-acetonitrile, Homopiperonylnitrile

  • CAS Number 4439-02-5

  • Empirical Formula (Hill Notation) C9H7NO2

  • Molecular Weight 161.16

  •  Beilstein/REAXYS Number 7739

  •  EC Number 224-655-9

  •  MDL number MFCD00005835

  •  PubChem Substance ID 24848716

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
assay   99%
mp   43-45 °C (lit.)
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

Description

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.

Packaging

10, 50 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
235.4 °F - closed cup
Flash Point(C) 
113 °C - closed cup

Documents

Certificate of Analysis (COA)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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