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| CAS No.: | 3939-15-9 |
|---|---|
| Name: | 2-Cyano-6-Fluoropyridine |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H3FN2 |
| Molecular Weight: | 122.102 |
| Synonyms: | Picolinonitrile,6-fluoro- (7CI,8CI); |
| Density: | 1.25 g/cm3 |
| Melting Point: | 32-35 °C |
| Boiling Point: | 234.1 °C at 760 mmHg |
| Flash Point: | 95.4 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Light yellow cryst. |
| Hazard Symbols: |
 T,  Xi,  Xn
|
| Risk Codes: | 20/21/22-37/38-41 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3439 |
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Specification
The 2-Pyridinecarbonitrile,6-fluoro-, with CAS registry number 3939-15-9, belongs to the following product category: Pyridine. It has the systematic name of 6-fluoropyridine-2-carbonitrile. This chemical is a kind of light yellow cryst. And the chemical formula of this chemical is C6H3FN2.
Physical properties of 2-Pyridinecarbonitrile,6-fluoro-: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.68 Å2; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 29.23 cm3; (11)Molar Volume: 97.7 cm3; (12)Polarizability: 11.58×10-24cm3; (13)Surface Tension: 46.9 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 95.4 °C; (16)Enthalpy of Vaporization: 47.08 kJ/mol; (17)Boiling Point: 234.1 °C at 760 mmHg; (18)Vapour Pressure: 0.054 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Pyridinecarbonitrile,6-fluoro- is harmful by inhalation, in contact with skin and if swallowed. This chemical irritates to respiratory system and skin. And this chemical has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(F)n1
(2)InChI: InChI=1/C6H3FN2/c7-6-3-1-2-5(4-8)9-6/h1-3H
(3)InChIKey: NVOLTPVZQXTZCW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H3FN2/c7-6-3-1-2-5(4-8)9-6/h1-3H
(5)Std. InChIKey: NVOLTPVZQXTZCW-UHFFFAOYSA-N