| Identification | More | [Name]
Ethyl 4-cyanobenzoate | [CAS]
7153-22-2 | [Synonyms]
ETHYL 4-CYANOBENZOATE
P-CYANOBENZOIC ACID ETHYL ESTER
RARECHEM AL BI 0074
Benzoic acid, 4-cyano-, ethyl ester
4-CYANOBENZOIC ACID ETHYL ESTER
ethyl cyanobenzoate | [EINECS(EC#)]
230-500-6 | [Molecular Formula]
C10H9NO2 | [MDL Number]
MFCD00001824 | [Molecular Weight]
175.18 | [MOL File]
7153-22-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystalline powder | [Melting point ]
52-54 °C (lit.) | [Boiling point ]
140°C/11mmHg(lit.) | [density ]
1.1999 (rough estimate) | [refractive index ]
1.5060 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Almost white | [λmax]
263nm(lit.) | [InChI]
1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3 | [InChIKey]
JLSSWDFCYXSLQX-UHFFFAOYSA-N | [SMILES]
CCOC(=O)c1ccc(cc1)C#N | [CAS DataBase Reference]
7153-22-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Ethyl 4-cyanobenzoate(7153-22-2) |
| 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 .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystalline powder | [Synthesis]
General procedure for the synthesis of ethyl 4-cyanobenzoate from ethanol and 4-cyanobenzaldehyde: 4-cyanobenzaldehyde (25 mmol), [bmim]N3 (75 mmol) and ethanol (75 mmol) were thoroughly mixed and the reaction was stirred at 50-60 °C. The reaction process was monitored by thin layer chromatography (TLC) using ethyl acetate/petroleum ether (1:7) as eluent. After completion of the reaction, the target product ethyl 4-cyanobenzoate was isolated by preparative chromatography using ethyl acetate/petroleum ether as eluent. | [References]
[1] Synthesis, 2010, # 2, p. 276 - 282
[2] Comptes Rendus Chimie, 2012, vol. 15, # 11-12, p. 1077 - 1080
[3] Bulletin of the Korean Chemical Society, 2011, vol. 32, # 6, p. 2070 - 2072
[4] Journal of Organometallic Chemistry, 2018, vol. 857, p. 123 - 137 |
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