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| CAS No.: | 21667-60-7 |
|---|---|
| Name: | 3-Methoxybenzoylacetonitrile |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | Acetonitrile,m-anisoyl- (7CI,8CI);3-(3-Methoxyphenyl)-3-oxopropanenitrile;3-(3-Methoxyphenyl)-3-oxopropionitrile;3-Methoxybenzoylacetonitrile;m-Anisoylacetonitrile; |
| Density: | 1.131 g/cm3 |
| Melting Point: | 89-91 °C |
| Boiling Point: | 331.781 °C at 760 mmHg |
| Flash Point: | 144.555 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 50.09000 |
| LogP: | 1.79158 |
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- Total:38 Page 1 of 1 1
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Specification
The 3-(3-Methoxy-Phenyl)-3-Oxo-Propionitrile, with the CAS registry number 21667-60-7, is also known as 3-(3-Methoxyphenyl)-3-oxopropanenitrile. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18. Its systematic name is called 3-(3-methoxyphenyl)-3-oxopropanenitrile. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 3-(3-Methoxy-Phenyl)-3-Oxo-Propionitrile: (1)ACD/LogP: 1.15; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 0.92; (4)ACD/BCF (pH 5.5): 4.33; (5)ACD/BCF (pH 7.4): 2.58; (6)ACD/KOC (pH 5.5): 99.14; (7)ACD/KOC (pH 7.4): 59.09; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.525; (11)Molar Refractivity: 47.5 cm3; (12)Molar Volume: 154.8 cm3; (13)Surface Tension: 43.2 dyne/cm; (14)Density: 1.131 g/cm3; (15)Flash Point: 144.6 °C; (16)Enthalpy of Vaporization: 57.45 kJ/mol; (17)Boiling Point: 331.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)c1cc(OC)ccc1
(2)InChI: InChI=1/C10H9NO2/c1-13-9-4-2-3-8(7-9)10(12)5-6-11/h2-4,7H,5H2,1H3
(3)InChIKey: HWXOHKGATNULJP-UHFFFAOYAL