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:
Molecular Weight:
159.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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)
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