20850-49-1

Name 3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
CAS 20850-49-1
EINECS(EC#) 244-082-8
Molecular Formula C13H17NO2
MDL Number MFCD00800230
Molecular Weight 219.28
MOL File 20850-49-1.mol
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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)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P304+P340-P305+P351+P338
WGK Germany  WGK 3
REACH Registrations Active
HazardClass  IRRITANT
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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Hazard Information

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