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| CAS No.: | 850565-37-6 |
|---|---|
| Name: | 3-Methoxy-4-fluorobenzyl cyanide |
| Molecular Structure: | |
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| Formula: | C9H8FNO |
| Molecular Weight: | 165.167 |
| Synonyms: | 2-(4-fluoro-3-Methoxyphenyl)acetonitrile;4-Fluoro-3-Methoxybenzylcyanide |
| Density: | 1.148 g/cm3 |
| Melting Point: | 49-50 °C |
| Boiling Point: | 278.5 °C at 760 mmHg |
| Flash Point: | 122.2 °C |
| PSA: | 33.02000 |
| LogP: | 1.90038 |
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- Total:23 Page 1 of 1 1
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Specification
The CAS register number of Benzeneacetonitrile,4-fluoro-3-methoxy- is 850565-37-6. The IUPAC name about this chemical is 2-(4-fluoro-3-methoxyphenyl)acetonitrile. The molecular formula about this chemical is C9H8FNO and the molecular weight is 165.167023.
Physical properties about Benzeneacetonitrile,4-fluoro-3-methoxy- are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.43; (5)ACD/BCF (pH 7.4): 6.43; (6)ACD/KOC (pH 5.5): 131.87; (7)ACD/KOC (pH 7.4): 131.87; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 42.38 cm3; (13)Molar Volume: 143.8 cm3; (14)Polarizability: 16.8x10-24cm3; (15)Surface Tension: 37.4 dyne/cm; (16)Density: 1.148 g/cm3; (17)Flash Point: 122.2 °C; (18)Enthalpy of Vaporization: 51.71 kJ/mol; (19)Boiling Point: 278.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00426 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1OC)CC#N
(2)InChI: InChI=1/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
(3)InChIKey: IWBUXMKSIMCUIX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
(5)Std. InChIKey: IWBUXMKSIMCUIX-UHFFFAOYSA-N