Ethyl isonicotinate Chemical Properties

Melting point:

23°C

Boiling point:

92 °C/8 mmHg (lit.)

Density 

1.009 g/mL at 25 °C (lit.)

vapor pressure 

17.9Pa at 25℃

refractive index 

n20/D 1.501(lit.)

Flash point:

190 °F

storage temp. 

Inert atmosphere,Room Temperature

solubility 

H₂O: soluble

pka

pK1:3.45(+1) (25°C)

form 

Oil

color 

Clear Colorless

Water Solubility 

immiscible

Merck 

14,5187

BRN 

122942

Dielectric constant

8.9499999999999993

InChI

1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

InChIKey

MCRPKBUFXAKDKI-UHFFFAOYSA-N

SMILES

CCOC(=O)c1ccncc1

LogP

1.43

CAS DataBase Reference

1570-45-2(CAS DataBase Reference)

NIST Chemistry Reference

4-Pyridinecarboxylic acid, ethyl ester(1570-45-2)

EPA Substance Registry System

4-Pyridinecarboxylic acid, ethyl ester (1570-45-2)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

NA 1993 / PGIII

WGK Germany 

3

RTECS 

NS1450000

TSCA 

TSCA listed

HS Code 

29333999

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

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Ethyl isonicotinate Usage And Synthesis

Chemical Properties

clear colorless to light brown liquid

Uses

Ethyl isonicotinate is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx.

Synthesis

In a 250 mL three-necked flask was added isonicotinic acid 4. 9 g ( 0.04 mo l), anhydrous ethanol 40 mL, the corresponding amount of concentrated H2SO4, phase transfer catalyst; respectively, a stirrer and a distillation device were installed. Heated with stirring, gradually increased the temperature, evaporated ethanol to the required liquid temperature, stopped heating, natural cooling, poured out at about 50 ?? C. The reactants were white solid at room temperature. With saturated Na2CO3 aqueous solution to neutralize the product to pH about 7 (such as the volume is too large can be added to part of the solid Na2CO3 ), to 20 mL of chloroform extraction, the combined organic layer was transferred to the decompression distillation flask, the first recovery of chloroform at atmospheric pressure and then decompression distillation of ethyl isonicotinate at 1. 06 k Pa to collect the 92 ~ & nbsp; 95 ?? C fractions, weighed, calculated yield. The product was a slightly yellow liquid (colorless after refining), bp 92 ~ 95 ??C /1. 06 k Pa, n20D = 1. 5005; Infrared spectrum: IR (cm- 1 ) 1733 ( C= O) 1283 ( C- O- C), purity is 99%.

Ethyl isonicotinate (1570-45-2)Related Product Information

• Phenethyl isothiocyanate
• Ethyl acetoacetate
• Ethyl 5-bromonicotinate
• Ethyl pyruvate
• Ethyl acetate
• Ethyl nicotinate
• ISOXADIFEN-ETHYL
• Trinexapac-ethyl
• Isonicotinic acid
• Ethylparaben
• Ethyl Hexanoate
• Ethyl 6-chloronicotinate
• Ethyl formate
• Ethyl cyanoacetate
• Ethyl propionate
• Ethyl acrylate
• Ethanol
• 2-Ethoxyethanol
• Isonicotinic Acid Ethyl Ester