ChemicalBook--->CAS DataBase List--->38947-57-8

38947-57-8

38947-57-8 Structure

38947-57-8 Structure
IdentificationBack Directory
[Name]

2 6-DIPHENYLISONICOTINIC ACID 97
[CAS]

38947-57-8
[Synonyms]

2 6-DIPHENYLISONICOTINIC ACID 97
[Molecular Formula]

C18H13NO2
[MDL Number]

MFCD00418438
[MOL File]

38947-57-8.mol
[Molecular Weight]

275.306
Chemical PropertiesBack Directory
[Appearance]

White to cream crystalline powder
[Melting point ]

283-286 °C(lit.)
[Boiling point ]

548.6±50.0 °C(Predicted)
[density ]

1.219±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

1.83±0.10(Predicted)
[InChI]

1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
[InChIKey]

PWKUURSWFJBXGO-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(nc(c1)-c2ccccc2)-c3ccccc3
Hazard InformationBack Directory
[Chemical Properties]

White to cream crystalline powder
[Uses]

2,6-Diphenylisonicotinic acid may be used as one of the reactants in the synthesis of 7-substituted spiro[chroman-2,4′-piperidin]-4-one derivatives and ethyl 2,6-diphenylisonicotinate (a tridentate ligand).
[General Description]

2,6-Diphenylisonicotinic acid can be synthesized by reacting ethyl 2,6-diphenylisonicotinate in ethanol with KOH solution.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29334990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2 6-DIPHENYLISONICOTINIC ACID 97(38947-57-8)1HNMR
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