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| CAS No.: | 131747-66-5 |
|---|---|
| Name: | 3-FORMYL-2-PYRIDINECARBONITRILE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H4N2O |
| Molecular Weight: | 132.122 |
| Synonyms: | 3-formylpyridine-2-carbonitrile;3-Formyl-2-pyridinecarbonitrile;3-Formylpyridine-2-carbonitrile; |
| Density: | 1.24 g/cm3 |
| Boiling Point: | 335 °C at 760 mmHg |
| Flash Point: | 156.4 °C |
| PSA: | 53.75000 |
| LogP: | 0.76578 |
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Specification
The 2-Pyridinecarbonitrile,3-formyl-, with the CAS registry number 131747-66-5, has the systematic name of 3-formylpyridine-2-carbonitrile. It belongs to the product category of Pyridine. And the molecular formula of this chemical is C7H4N2O.
The physical properties of 2-Pyridinecarbonitrile,3-formyl- are as following: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 53.75 Å2; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 34.08 cm3; (11)Molar Volume: 106.4 cm3; (12)Polarizability: 13.51×10-24cm3; (13)Surface Tension: 59.6 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 156.4 °C; (16)Enthalpy of Vaporization: 57.8 kJ/mol; (17)Boiling Point: 335 °C at 760 mmHg; (18)Vapour Pressure: 0.000123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncccc1C=O
(2)InChI: InChI=1/C7H4N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-3,5H
(3)InChIKey: RKCGRQNFJCFRQN-UHFFFAOYAX