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39931-77-6

Basic Information
CAS No.: 39931-77-6
Name: 3-Pyridineacetic acid,ethyl ester
Molecular Structure:
Molecular Structure of 39931-77-6 (3-Pyridineacetic acid,ethyl ester)
Formula: C9H11NO2
Molecular Weight: 165.19
Synonyms: 2-(Pyridin-3-yl)aceticacid ethyl ester;Ethyl 2-(3-pyridoyl)acetate;Ethyl 2-(pyridin-3-yl)acetate;NSC76091;Pyridin-3-ylacetic acid ethyl ester;
EINECS: 254-707-6
Density: 1.087 g/cm3
Melting Point:
Boiling Point: 274.4 °C at 760 mmHg
Flash Point: 105.6 °C
Solubility:
Appearance: clear colorless to yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 39.19000
LogP: 1.18720
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  • ETHYL 3-PYRIDYLACETATE

  • Casno:

    39931-77-6

    ETHYL 3-PYRIDYLACETATE

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  • CAS NO.:39931-77-6

  • Casno:

    39931-77-6

    CAS NO.:39931-77-6

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  • ethyl 2-pyridin-3-ylacetate

  • Casno:

    39931-77-6

    ethyl 2-pyridin-3-ylacetate

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  • ethyl 2-(pyridin-3-yl)acetate

  • Casno:

    39931-77-6

    ethyl 2-(pyridin-3-yl)acetate

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  • 3-Pyridineacetic acid,ethyl ester

  • Casno:

    39931-77-6

    3-Pyridineacetic acid,ethyl ester

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  • 3-Pyridineacetic acid, ethyl ester/ 39931-77-6

  • Casno:

    39931-77-6

    3-Pyridineacetic acid, ethyl ester/ 39931-77-6

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  • Ethyl 3-pyridylacetate cas  39931-77-6

  • Casno:

    39931-77-6

    Ethyl 3-pyridylacetate cas 39931-77-6

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Specification

The 3-Pyridineacetic acid,ethyl ester, with its cas register number 39931-77-6, has its IUPAC name of  ethyl 2-pyridin-3-ylacetate. And this is a kind of clear colorless liquid, and insoluble in water while soluble in ethanol, ether and other organic solvents. Besides, its product categories are including heterocyclic compounds. As for its usage, it is usually applied in the pharmaceutic intermediates, such as being the intermediate of fungicide pyrifenox.

The characteristics of this chemical are as following: (1)XLogP3: 0.6; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 4; (5)Exact Mass: 165.078979; (6)MonoIsotopic Mass: 165.078979; (7)Topological Polar Surface Area: 39.2; (8)Heavy Atom Count: 12; (9)Complexity:148; (10)Covalently-Bonded Unit Count: 1.

The producing method of this chemical is below: 3-Pyridylacetic acid reacts with ethanol in presence of catalytic agent under refluxing to get 3-Pyridineacetic acid,ethyl ester; Or 3-acetylpyridine react to produce 3-acetylchloropyridine, and then react with absolute ethyl alcohol to obtain 3-Pyridineacetic acid,ethyl ester.

When you are dealing with this chemical, you should be very cautious. For a kind of irritant chemical, it is irritant to the skin and eyes, and it may cause inflammation to the skin or other mucous membranes. So you had better take the following instructions. Wear suitable protective clothing, gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Additionally, you could obtain the molecular structure through converting the following datas:
(1)Canonical SMILES: CCOC(=O)CC1=CN=CC=C1
(2)InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3 
(3)InChIKey: RPWXYCRIAGBAGY-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00470,