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| CAS No.: | 119584-73-5 |
|---|---|
| Name: | 2-ETHOXY-6-FLUORO-BENZONITRILE, 98% |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H8FNO |
| Molecular Weight: | 165.167 |
| Synonyms: | 2-Ethoxy-6-fluorobenzonitrile; Benzonitrile, 2-ethoxy-6-fluoro- |
| Density: | 1.14 g/cm3 |
| Melting Point: | 47-49℃ |
| Boiling Point: | 248.7 °C at 760 mmHg |
| Flash Point: | 104.2 °C |
| PSA: | 33.02000 |
| LogP: | 2.09608 |
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Specification
The 2-Ethoxy-6-fluorobenzonitrile is an organic compound with the formula C9H8FNO. The IUPAC name of this chemical is 2-Ethoxy-6-fluorobenzonitrile. Its CAS registry number is 119584-73-5. In addition, the molecular weight is 165.1643.
Physical properties about 2-Ethoxy-6-fluorobenzonitrile are: (1)ACD/LogP: 2.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.04; (6)ACD/BCF (pH 7.4): 33.04; (7)ACD/KOC (pH 5.5): 425.56; (8)ACD/KOC (pH 7.4): 425.56; (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: 1.501; (14)Molar Refractivity: 42.42 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 16.82×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 104.2 °C; (20)Enthalpy of Vaporization: 48.59 kJ/mol; (21)Boiling Point: 248.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0239 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(OCC)c1C#N
(2) InChI: InChI=1/C9H8FNO/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5H,2H2,1H3
(3) InChIKey: HVAKERNUWAPZOR-UHFFFAOYAA