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81660-73-3

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81660-73-3 Structure

81660-73-3 Structure
IdentificationBack Directory
[Name]

tert-Butyl isonicotinate
[CAS]

81660-73-3
[Synonyms]

tert-Butyl isonicotinate
ert-Butyl isonicotinate[N/A]
4-Pyridinecarboxylic acid, 1,1-dimethylethyl ester
[Molecular Formula]

C10H13NO2
[MDL Number]

MFCD19600069
[MOL File]

81660-73-3.mol
[Molecular Weight]

179.22
Chemical PropertiesBack Directory
[Boiling point ]

246.5±13.0 °C(Predicted)
[density ]

1.053±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

3.22±0.10(Predicted)
[InChI]

InChI=1S/C10H13NO2/c1-10(2,3)13-9(12)8-4-6-11-7-5-8/h4-7H,1-3H3
[InChIKey]

ZXAPIQZSJHLLDS-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(C(OC(C)(C)C)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl isonicotinate(81660-73-3)1HNMR
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