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4-Pyridineacetic acid,ethyl ester

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Name

4-Pyridineacetic acid,ethyl ester

EINECS 259-150-2
CAS No. 54401-85-3 Density 1.086 g/cm3
PSA 39.19000 LogP 1.18720
Solubility N/A Melting Point 18-19 °C
Formula C9H11NO2 Boiling Point 252.5 °C at 760 mmHg
Molecular Weight 165.192 Flash Point 106.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 54401-85-3 (ETHYL 4-PYRIDYLACETATE) Hazard Symbols IrritantXi
Synonyms

Ethyl 2-(4-pyridyl)acetate;Ethylpyridylacetate;

Article Data 26

4-Pyridineacetic acid,ethyl ester Specification

The 4-Pyridineacetic acid,ethyl ester, with the CAS registry number 54401-85-3, is also known as Ethyl 2-(4-pyridyl)acetate and Ethylpyridylacetate. It belongs to the product categories of Esters; Pyridines; C9 to C46; Heterocyclic Building Blocks. Its EINECS registry number is 259-150-2. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its IUPAC name is called Ethyl 2-pyridin-4-ylacetate.

Physical properties about this chemical are: (1)ACD/LogP: 1.01; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 44.93 cm3; (9)Molar Volume: 151.9 cm3; (10)Surface Tension: 40 dyne/cm; (11)Density: 1.086 g/cm3; (12)Flash Point: 106.5 °C; (13)Enthalpy of Vaporization: 48.99 kJ/mol; (14)Boiling Point: 252.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0192 mmHg at 25 °C; (16)Meiting Point: 18-19 °C.

Preparation of 4-Pyridineacetic acid,ethyl ester: this chemical can be prepared by Pyridin-4-yl-acetonitrile and Ethanol. The yield is 52%.

Uses of 4-Pyridineacetic acid,ethyl ester: it is used to produce other chemicals. For example, it is used to produce 2-Pyridin-4-yl-ethanol.

The reaction occurs with reagent LiAlH4 and solvent Diethyl ether. The yield is 78%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)Cc1ccncc1
(2) InChI: InChI=1/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
(3) InChIKey: QVLJLWHOILVHJJ-UHFFFAOYAX

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