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543578

4-Toluoylacetonitrile

97%

Synonym(s):

3-Oxo-3-p-tolylpropionitrile

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About This Item

Linear Formula:
CH3C6H4C(O)CH2CN
CAS Number:
7391-28-8
Molecular Weight:
159.18
NACRES:
NA.22
PubChem Substance ID:
24878694
UNSPSC Code:
12352100
MDL number:
MFCD00067895
Assay:
97%
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Quality Segment

200

assay

97%

mp

105-108 °C (lit.)

functional group

ketone, nitrile

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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