3,4-(Methylenedioxy)phenylacetonitrile, 98+%

Description

CAS: 4439-02-5 | C9H7NO2 | 161.16 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Store at room temperature. Incompatible with strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 4439-02-5
• Molecular Formula: C9H7NO2
• Molecular Weight (g/mol): 161.16
• MDL Number: MFCD00005835
• InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N
• Synonym: 3,4-methylenedioxy phenylacetonitrile, 1,3-benzodioxole-5-acetonitrile, 3,4-methylenedioxyphenylacetonitrile, 2-benzo d 1,3 dioxol-5-yl acetonitrile, 3,4-methylenedioxybenzyl cyanide, 2-2h-1,3-benzodioxol-5-yl acetonitrile, 1,3-benzodioxol-5-ylacetonitrile, 2-1,3-benzodioxol-5-yl acetonitrile, 3,4-methylenedioxybenzylcyanide, homopiperonylonitrile
• PubChem CID: 78178
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile
• SMILES: C1OC2=C(O1)C=C(C=C2)CC#N

• Melting Point: 41°C to 45°C
• Boiling Point: 135°C to 140°C (5 mmHg)
• Flash Point: >110°C (230°F)
• Quantity: 10 g
• UN Number: UN3439
• Beilstein: 7739
• Solubility Information: Insoluble in water.
• Formula Weight: 161.16
• Percent Purity: ≥98%
• Chemical Name or Material: 3,4-(Methylenedioxy)phenylacetonitrile

Safety and Handling

Hazard Category	H302+H312+H332
Hazard Statement	GHS H Statement H311-H302-H332 Toxic in contact with skin. Harmful if swallowed. Harmful if inhaled.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P312-P330-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber	224-655-9
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only