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| CAS No.: | 2524-52-9 |
|---|---|
| Name: | Ethyl picolinate |
| Article Data: | 77 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | Ethyl 2-picolinate;Ethyl 2-pyridinecarboxylate;2-Pyridinecarboxylicacid, ethyl ester;NSC 31651;NSC 959;2-(Ethoxycarbonyl)pyridine;Picolinic acid,ethyl ester (6CI,7CI,8CI); |
| EINECS: | 219-758-0 |
| Density: | 1.102 g/cm3 |
| Melting Point: | 2 °C(lit.) |
| Boiling Point: | 243.7 °C at 760 mmHg |
| Flash Point: | 107.2 °C |
| Solubility: | miscible |
| Appearance: | clear yellowish or pink liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 39.19000 |
| LogP: | 1.25830 |
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Specification
This chemical is called Ethyl picolinate, and its systematic name is ethyl pyridine-2-carboxylate. With the molecular formula of C8H9NO2, its product categories are Glycinescaffold; Carboxylicester; Aromatic Esters; Acids & Esters; Miscellaneous Compounds. The CAS registry number of this chemical is 2524-52-9. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Ethyl picolinate can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.6; (6)ACD/BCF (pH 7.4): 3.6; (7)ACD/KOC (pH 5.5): 87.09; (8)ACD/KOC (pH 7.4): 87.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 40.75 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 16.15×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 107.2 °C; (20)Enthalpy of Vaporization: 48.07 kJ/mol; (21)Boiling Point: 243.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0316 mmHg at 25°C.
Uses of this chemical: The Ethyl picolinate could react with benzylamine, and obtain the pyridine-2-carboxylic acid benzylamide. This reaction needs the reagent of Na. The yield is 60 %. In addition, this reaction should be taken for hours at the temperature of 100 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, 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)c1ncccc1
2.InChI: InChI=1/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
3.InChIKey: FQYYIPZPELSLDK-UHFFFAOYAQ