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CAS No.: | 327056-62-2 |
---|---|
Name: | 2-Cyano-5-fluoropyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H3FN2 |
Molecular Weight: | 122.102 |
Synonyms: | 5-Fluoropyridine-2-carbonitrile; |
EINECS: | -0 |
Density: | 1.24 g/cm3 |
Melting Point: | 41-44 °C |
Boiling Point: | 214.9 °C at 760 mmHg |
Flash Point: | 83.8 °C |
Hazard Symbols: | Xn, N |
Risk Codes: | 22-41-50/53 |
Safety: | 26-39-60-61 |
Transport Information: | UN 3439 |
PSA: | 36.68000 |
LogP: | 1.09238 |
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The CAS register number of 2-Cyano-5-fluoropyridine is 327056-62-2. It also can be called as 2-Pyridinecarbonitrile,5-fluoro- and the systematic name about this chemical is 5-fluoropyridine-2-carbonitrile. The molecular formula about this chemical is C6H3FN2 and molecular weight is 122.10. It belongs to the following product categories which include Pyridine; Chemical Synthesis; Halogenated Heterocycles; Heterocyclic Building Blocks; New Products for Chemical Synthesis; Pyridines and so on.
Physical properties about 2-Cyano-5-fluoropyridine are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.52; (5)ACD/BCF (pH 7.4): 1.52; (6)ACD/KOC (pH 5.5): 47.05; (7)ACD/KOC (pH 7.4): 47.05; (8)#H bond acceptors: 2; (9)Polar Surface Area: 36.68Å2; (10)Index of Refraction: 1.509; (11)Molar Refractivity: 29.23 cm3; (12)Molar Volume: 97.7 cm3; (13)Polarizability: 11.58x10-24cm3; (14)Surface Tension: 46.9 dyne/cm; (15)Enthalpy of Vaporization: 45.12 kJ/mol; (16)Boiling Point: 214.9 °C at 760 mmHg; (17)Vapour Pressure: 0.152 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. It is harmful if swallowed. This chemical has risk of serious damage to the eyes. This material and its container must be disposed of as hazardous waste. When you are using it, please avoid release to the environment and wear eye / face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cnc(C#N)cc1
(2)InChI: InChI=1/C6H3FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
(3)InChIKey: BHXHRMVSUUPOLX-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H3FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
(5)Std. InChIKey: BHXHRMVSUUPOLX-UHFFFAOYSA-N