4-Methyl-alpha-(1-oxopropyl)-benzeneacetonitrile

Catalog No. :
ACUBLH000
CAS No. :
77186-57-3
Molecular Formula :
C12H13NO
Molecular Weight :
187.24

IUPAC Name:3-oxo-2-(p-tolyl)pentanenitrile

4-Methyl-alpha-(1-oxopropyl)-benzeneacetonitrile structure diagram
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Product Information

Product Name4-Methyl-alpha-(1-oxopropyl)-benzeneacetonitrile
IUPAC Name3-oxo-2-(p-tolyl)pentanenitrile
MDL No.MFCD17225834
Molecular FormulaC12H13NO
Molecular Weight187.24
SMILESN#CC(C(CC)=O)C1=CC=C(C)C=C1
InChI KeyTWIWIGZGQSDOOO-UHFFFAOYSA-N
Synonym3-oxo-2-(p-tolyl)pentanenitrile;Benzeneacetonitrile, 4-methyl-α-(1-oxopropyl)-
CAS No.77186-57-3

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P280-P301+P312-P302+P352-P305+P351+P338

Synthetic Route by SureRoute

1. ACUBLH000 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACUBLH000 route product structure diagram
    ACUBLH00077186-57-3
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2. ACUBLH000 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUBLH000 route product structure diagram
    ACUBLH00077186-57-3
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