| Identification | More | [Name]
2-Ethoxybenzonitrile | [CAS]
6609-57-0 | [Synonyms]
2-ETHOXYBENZONITRILE
O-ETHOXYBENZONITRILE
2-Ethoxybenzonitrile o-Ethoxybenzonitrile
2-ETHOXYBENZONITRILE 98%
O-ETHOXYBENZONITRILE 95%
Ethoxybenzonitril | [EINECS(EC#)]
613-895-3 | [Molecular Formula]
C9H9NO | [MDL Number]
MFCD00001789 | [Molecular Weight]
147.17 | [MOL File]
6609-57-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
5°C(lit.) | [Boiling point ]
154°C 20mm | [density ]
1.053 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.49-54000Pa at 20-238℃ | [refractive index ]
n20/D 1.5322(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [color ]
Clear colorless to pale yellow | [InChI]
1S/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H3 | [InChIKey]
DXTLCLWOCYLDHL-UHFFFAOYSA-N | [SMILES]
CCOc1ccccc1C#N | [LogP]
2.6 at 25℃ and pH6.6 | [Surface tension]
54.5mN/m at 511.2mg/L and 20.1℃ | [CAS DataBase Reference]
6609-57-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN3276 | [WGK Germany ]
2
| [REACH Registrations]
Inactive | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
2-Ethoxybenzonitrile has been used in the synthesis of selective phosphodiesterase(V) inhibitor, vardenafil. | [Synthesis]
To a 250 mL three-necked flask was added 5.95 g (0.05 mol) of o-hydroxybenzonitrile, 20 mL of 10% aqueous NaOH and 80 mL of toluene and the mixture was heated to 70 °C and maintained at this temperature for 1 hour of reaction. Subsequently, the temperature was lowered to 60 °C and 9.24 g of diethyl sulfate was slowly added dropwise. After the dropwise addition, the reaction temperature was raised to 70 °C and the reaction was continued for 2 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) until o-hydroxybenzonitrile completely disappeared. After completion of the reaction, the mixture was cooled to room temperature and liquid-liquid separation was carried out. The toluene layer was collected and the solvent was removed by evaporation to give a light yellow oily liquid 2-ethoxybenzonitrile 6.98 g in 95% yield. | [References]
[1] Patent: CN108440519, 2018, A. Location in patent: Paragraph 0021; 0022; 0023; 0024
[2] Patent: CN108341808, 2018, A. Location in patent: Paragraph 0021; 0022; 0023 |
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