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4439-02-5

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4439-02-5 Structure

4439-02-5 Structure

Identification	More
[Name] 3,4-(Methylenedioxy)phenylacetonitrile
[CAS] 4439-02-5
[Synonyms] 1,3-BENZODIOXOLE-5-ACETONITRILE 3,4-METHYLENEDIOXYBENZYL CYANIDE 3,4-(METHYLENEDIOXY)PHENYLACETONITRILE A-CYANO-3,4-METHYLENEDIOXYTOLUENE PIPERONYL CYANIDE 1,3-Benzodioxol-5-ylacetonitrile (1,3-Benzodioxol-5-yl)acetonitrile~3,4-(Methylenedioxy)benzyl cyanide~Piperonyl cyanide Homopiperonylnitrile 3,4-METHYLENEDIOXYPHENYLACETONITRILE, 99 % PEPERACETONITRILE Homopiperonylonitrile 3,4-METHYLENEDIOXYPHENYLACETONITRILE 99% 3,4-(Methylenedioxy)phenylacetonitrile, 98+% 1,3-Benzodioxole-5-acetonitrile, Homopiperonylnitrile 2-(1,3-Benzodioxol-5-yl)acetonitrile 2-(1,3-Benzodioxole-5-yl)acetonitrile
[EINECS(EC#)] 224-655-9
[Molecular Formula] C9H7NO2
[MDL Number] MFCD00005835
[Molecular Weight] 161.16
[MOL File] 4439-02-5.mol

Chemical Properties	Back Directory
[Appearance] Pale yellow low melting solid
[Melting point ] 43-45 °C(lit.)
[Boiling point ] 135-140°C 5mm
[density ] 1.270±0.06 g/cm3(Predicted)
[Fp ] >230 °F
[storage temp. ] Inert atmosphere,Room Temperature
[form ] powder to crystal
[color ] White to Light yellow
[Water Solubility ] Insoluble in water.
[BRN ] 7739
[Exposure limits] NIOSH: IDLH 25 mg/m3
[InChI] InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
[InChIKey] ZQPBOYASBNAXOZ-UHFFFAOYSA-N
[SMILES] O1C2=CC=C(CC#N)C=C2OC1
[CAS DataBase Reference] 4439-02-5(CAS DataBase Reference)
[NIST Chemistry Reference] 3,4-Methylenedioxyphenylacetonitrile(4439-02-5)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302+H312+H332
[Precautionary statements ] P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ] Xn
[Risk Statements ] R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ] S36:Wear suitable protective clothing . S36/37:Wear suitable protective clothing and gloves .
[RIDADR ] 3439
[WGK Germany ] 3
[HazardClass ] 6.1
[PackingGroup ] III
[HS Code ] 29329990

Raw materials And Preparation Products	Back Directory
[Raw materials] Dimethyl sulfoxide-->Sodium cyanide-->Catechol-->Dichloroethane-->1,3-Benzodioxole-->1,3,5-trioxane
[Preparation Products] Homopiperonylamine-->Homopiperonylamide-->(3,4-Dihydroxyphenyl)acetonitrile-->2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 1,3-Benzodioxole-5-acetonitrile(4439-02-5).msds

Hazard Information	Back Directory
[Chemical Properties] Pale yellow low melting solid
[Uses] 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.
[General Description] 3,4-(Methylenedioxy)phenylacetonitrile undergoes hydrolysis catalyzed by nitrilase ZmNIT2 enzyme from maize.

Spectrum Detail	Back Directory
[Spectrum Detail] 3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)MS 3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)¹HNMR 3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)¹³CNMR 3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)IR1 3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)IR2 3,4-(Methylenedioxy)phenylacetonitrile(4439-02-5)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 3,4-(Methylenedioxy)phenylacetonitrile, 98%(4439-02-5)
[Alfa Aesar] 3,4-(Methylenedioxy)phenylacetonitrile, 98+%(4439-02-5)
[Sigma Aldrich] 4439-02-5(sigmaaldrich)
[TCI AMERICA] 3,4-Methylenedioxyphenylacetonitrile,>98.0%(GC)(4439-02-5)

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