(3-Nitro-pyridin-4-yl)-acetic acid ethyl ester supplier

Name
5-methoxypyridin-3-amine
EINECS
CAS No. 65645-52-5
Article Data12
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₄
Boiling Point 318.902 °C at 760 mmHg
Molecular Weight 210.189
Flash Point 146.667 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridineaceticacid, 3-nitro-, ethyl ester;
PSA 85.01000
LogP 1.61860

(3-Nitro-pyridin-4-yl)-acetic acid ethyl ester Specification

The (3-Nitro-pyridin-4-yl)-acetic acid ethyl ester, with the CAS registry number 65645-52-5, is also known as 4-Pyridineaceticacid, 3-nitro-, ethyl ester. This chemical's molecular formula is C₉H₁₀N₂O₄ and molecular weight is 210.1867. What's more, its IUPAC name is Ethyl 2-(3-nitropyridin-4-yl)acetate.

Physical properties about (3-Nitro-pyridin-4-yl)-acetic acid ethyl ester are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 85.01 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 51.479 cm³; (9)Molar Volume: 163.812 cm³; (10)Polarizability: 20.408×10^-24 cm³; (11)Surface Tension: 51.019 dyne/cm; (12)Density: 1.283 g/cm³; (13)Flash Point: 146.667 °C; (14)Enthalpy of Vaporization: 56.044 kJ/mol; (15)Boiling Point: 318.902 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of (3-Nitro-pyridin-4-yl)-acetic acid ethyl ester: this chemical is prepared by heating. The reaction needs reagent (3-Nitro-pyridin-4-yl)-malonic acid diethyl ester and solvent Xylene. The reaction time is 96 hours. The yield is about 7 %.

The (3-Nitro-pyridin-4-yl)-acetic acid ethyl ester can be obtained by (3-Nitro-pyridin-4-yl)-malonic and Xylene.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cnccc1CC(=O)OCC
(2) InChI: InChI=1/C9H10N2O4/c1-2-15-9(12)5-7-3-4-10-6-8(7)11(13)14/h3-4,6H,2,5H2,1H3
(3) InChIKey: XNSRNWVUBGIIAW-UHFFFAOYAX

Product Name

5-methoxypyridin-3-amine

(3-Nitro-pyridin-4-yl)-acetic acid ethyl ester Specification

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