Skip to Content
MilliporeSigma
All Photos(2)

Key Documents

543578

Sigma-Aldrich

4-Toluoylacetonitrile

97%

Synonym(s):

3-Oxo-3-p-tolylpropionitrile

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
CH3C6H4C(O)CH2CN
CAS Number:
Molecular Weight:
159.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

97%

mp

105-108 °C (lit.)

SMILES string

Cc1ccc(cc1)C(=O)CC#N

InChI

1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3

InChI key

AIECDYDQPCANJK-UHFFFAOYSA-N

Application

4-Toluoylacetonitrile (Tol-4) may be used to synthesize (nitrido)(nitrile-enolato) complex, trans-[Mo(N)(NCCHCOTol-4)(dppe)2], where dppe = Ph2PCH2CH2PPh2.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Reaction Mechanism of the C:N Triple Bond Cleavage of β-Ketonitriles on a Molybdenum (0) Center1
Tanabe Y, et al.
Journal of the American Chemical Society, 122(8), 1690-1699 (2000)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service