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39528-62-6

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39528-62-6 Structure

39528-62-6 Structure
IdentificationBack Directory
[Name]

3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE
[CAS]

39528-62-6
[Synonyms]

4-tert-Butylbenzoylacetonitrile
3-(4-tert-Butylphenyl)-3-oxopropanenitrile
Benzenepropanenitrile, 4-(1,1-dimethylethyl)-β-oxo-
[Molecular Formula]

C13H15NO
[MDL Number]

MFCD00179689
[MOL File]

39528-62-6.mol
[Molecular Weight]

201.26
Chemical PropertiesBack Directory
[Boiling point ]

348.5±35.0 °C(Predicted)
[density ]

1.018±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

8.14±0.10(Predicted)
[InChI]

1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3
[InChIKey]

LKZFEKFWLCDIBF-UHFFFAOYSA-N
[SMILES]

N#CCC(C1=CC=C(C=C1)C(C)(C)C)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
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