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CAS No.: | 13121-99-8 |
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Name: | PYRIDIN-4-YL-ACETONITRILE |
Molecular Structure: | |
Formula: | C7H6 N2 |
Molecular Weight: | 118.138 |
Synonyms: | 4-Cyanomethylpyridine;4-Pyridinylacetonitrile; 4-Pyridylacetonitrile |
Density: | 1.085g/cm3 |
Melting Point: | 52-53 °C(Solv: ligroine (8032-32-4)) |
Boiling Point: | 258.8°C at 760 mmHg |
Flash Point: | 99.3°C |
Solubility: | Slightly soluble in water. |
PSA: | 36.68000 |
LogP: | 1.14768 |
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Molecular Structure of 2-(Pyridin-4-yl)acetonitrile (CAS NO.13121-99-8):
Systematic Name: Pyridin-4-ylacetonitrile
SMILES: N#CCc1ccncc1
InChI: InChI=1/C7H6N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1H2
InChIKey: BMVSAKPRNWZCPG-UHFFFAOYAM
Molecular Formula: C7H6N2
Molecular Weight: 118.14
Nominal Mass: 118
Average Mass: 118.1359
Monoisotopic Mass: 118.053098
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.533
Molar Refractivity: 33.8 cm3
Molar Volume: 108.8 cm3
Surface Tension: 47.8 dyne/cm
Density: 1.085 g/cm3
Flash Point: 99.3 °C
Enthalpy of Vaporization: 49.64 kJ/mol
Boiling Point: 258.8 °C at 760 mmHg
Vapour Pressure: 0.0135 mmHg at 25 °C
2-(Pyridin-4-yl)acetonitrile (CAS NO.13121-99-8), its Synonyms are 4-Pyridineacetonitrile ; Pyridin-4-ylacetonitrile .