4439-02-5

Name 3,4-(Methylenedioxy)phenylacetonitrile
CAS 4439-02-5
EINECS(EC#) 224-655-9
Molecular Formula C9H7NO2
MDL Number MFCD00005835
Molecular Weight 161.16
MOL File 4439-02-5.mol
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Chemical Properties

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

Symbol(GHS)  Exclamation Mark (GHS07)
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

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