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| CAS No.: | 175204-06-5 |
|---|---|
| Name: | 2-Fluoro-6-phenoxybenzonitrile |
| Molecular Structure: | |
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|
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| Formula: | C13H8FNO |
| Molecular Weight: | 213.211 |
| Synonyms: | 2-Fluoro-6-phenoxybenzonitrile; |
| EINECS: | -0 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 90-93°C |
| Boiling Point: | 308.5 °C at 760 mmHg |
| Flash Point: | 140.4 °C |
| Appearance: | Off white |
| Hazard Symbols: |
 T
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 33.02000 |
| LogP: | 3.48968 |
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Specification
The 2-Fluoro-6-phenoxybenzonitrile is an organic compound with the molecular formula C13H8FNO. Its CAS registry number is 175204-06-5. Its IUPAC name is called 2-Fluoro-6-phenoxybenzonitrile. It's also named as 2-Cyano-3-fluorophenyl phenyl ether. What's more, the molecular weight of this chemical is 213.21. It belongs to the product category of Aromatic Nitriles.
Physical properties about 2-Fluoro-6-phenoxybenzonitrile are: (1)ACD/LogP: 3.93; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 570.61; (6)ACD/BCF (pH 7.4): 570.61; (7)ACD/KOC (pH 5.5): 3270.3; (8)ACD/KOC (pH 7.4): 3270.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 57.88 cm3; (15)Molar Volume: 171.2 cm3; (16)Polarizability: 22.94×10-24 cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 140.4 °C; (20)Enthalpy of Vaporization: 54.92 kJ/mol; (21)Boiling Point: 308.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000678 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is toxic and may cause damage to health at low levels. It is also irritating to eyes, respiratory system and skin. In addition, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You also should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2cccc(Oc1ccccc1)c2C#N
(2) InChI: InChI=1/C13H8FNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
(3) InChIKey: FBHXELGUZCMKQY-UHFFFAOYAN