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| CAS No.: | 672931-28-1 |
|---|---|
| Name: | 5-Methoxy-2-fluorobenzyl cyanide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H8FNO |
| Molecular Weight: | 165.167 |
| Synonyms: | (2-Fluoro-5-methoxyphenyl)acetonitrile; |
| Density: | 1.148 g/cm3 |
| Boiling Point: | 278.7 °C at 760 mmHg |
| Flash Point: | 122.3 °C |
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- Total:27 Page 1 of 1 1
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Specification
The 5-Methoxy-2-fluorobenzyl cyanide, with the CAS registry number 672931-28-1, has the systematic name of (2-fluoro-5-methoxyphenyl)acetonitrile. It belongs to the product categories of Methoxy and Halide. And the molecular formula of this chemical is C9H8FNO.
The physical properties of 5-Methoxy-2-fluorobenzyl cyanide are as following: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154.15; (8)ACD/KOC (pH 7.4): 154.15; (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: 42.38 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 16.8×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 51.73 kJ/mol; (21)Boiling Point: 278.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00421 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(OC)cc1CC#N
(2)InChI: InChI=1/C9H8FNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H3
(3)InChIKey: QSPYWCDXOCAMGL-UHFFFAOYAT