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3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile Structure

3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile

Chemical Properties

Melting point 46-49°C
Boiling point 160-166 °C(Press: 6 Torr)
Density  1.023±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  White to Pale Yellow
Major Application pharmaceutical
InChI 1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3
InChIKey NFXAXMOAVPLEBH-UHFFFAOYSA-N
SMILES N#CC(C(C)C)c1cc(c(cc1)OC)OC
CAS DataBase Reference 20850-49-1(CAS DataBase Reference)
FDA UNII 1Z42YUG42K
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P280-P304+P340-P305+P351+P338
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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