ChemicalBook--->CAS DataBase List--->13121-99-8

13121-99-8

13121-99-8 Structure

13121-99-8 Structure
IdentificationBack Directory
[Name]

PYRIDIN-4-YL-ACETONITRILE
[CAS]

13121-99-8
[Synonyms]

2-(Pyridin-4-yl)
RARECHEM AK ML 0204
4-Pyridineacetonitrile
PYRIDIN-4-YL-ACETONITRILE
Pyridine-4-yl-Acetonitrile
2-(Pyridin-4-yl)acetonitrile
4-Pyridineacetonitrile, 97+%
[Molecular Formula]

C7H6N2
[MDL Number]

MFCD03412601
[MOL File]

13121-99-8.mol
[Molecular Weight]

118.14
Chemical PropertiesBack Directory
[Melting point ]

52-53 °C(Solv: ligroine (8032-32-4))
[Boiling point ]

89-91 °C(Press: 0.1 Torr)
[density ]

1.085±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Solid
[pka]

4.49±0.10(Predicted)
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C7H6N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1H2
[InChIKey]

BMVSAKPRNWZCPG-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(CC#N)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[HazardClass ]

6.1
Hazard InformationBack Directory
[Uses]

A pyridine derivative used in the preparation of inhibitors of Acyl CoA, cholesterol acyltransferase as well as bone morphogenetic protein (BMP) signaling inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

PYRIDIN-4-YL-ACETONITRILE(13121-99-8)1HNMR
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