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| CAS No.: | 84476-99-3 |
|---|---|
| Name: | 2,5-Difluoropyridine |
| Molecular Structure: | |
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|
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| Formula: | C5H3F2N |
| Molecular Weight: | 115.082 |
| Synonyms: | 2,5-Difluoropyridine; |
| Density: | 1.263 g/cm3 |
| Melting Point: | -33°C(lit.) |
| Boiling Point: | 113.1 °C at 760 mmHg |
| Flash Point: | 22.2 °C |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 T, F, Xi
|
| Risk Codes: | 10-36/37/38-22 |
| Safety: | 16-26-36/37/39-37 |
| PSA: | 12.89000 |
| LogP: | 1.35980 |
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Specification
The IUPAC name of this chemical is 2,5-difluoropyridine. With the CAS registry number 84476-99-3, it is also named as Pyridine, 2,5-difluoro-. The product's categorie is pyridine. It is clear colorless liquid which is toxic and highly flammable. People should not breathe dust or vapor. In addition, this chemical should be sealed in the container and stored in a cool, dry, well-ventilated area.
The other characteristics of 2,5-Difluoropyridine can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.231; (4)ACD/LogD (pH 7.4): 1.231; (5)ACD/BCF (pH 5.5): 5.072; (6)ACD/BCF (pH 7.4): 5.072; (7)ACD/KOC (pH 5.5): 111.274; (8)ACD/KOC (pH 7.4): 111.274; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.447; (13)Molar Refractivity: 24.332 cm3; (14)Molar Volume: 91.077 cm3; (15)Polarizability: 9.646×10-24 cm3; (16)Surface Tension: 31.445 dyne/cm; (17)Enthalpy of Vaporization: 33.709 kJ/mol; (18)Vapour Pressure: 24.922 mmHg at 25°C; (19)Exact Mass 115.023356; (20)MonoIsotopic Mass 115.023356; (21)Topological Polar Surface Area 12.9; (22)Heavy Atom Count 8; (23)Complexity 76.8.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(ncc1F)F
2. InChI:InChI=1/C5H3F2N/c6-4-1-2-5(7)8-3-4/h1-3H
3. InChIKey:XFAMUOYNXFXQTC-UHFFFAOYAA