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1570-45-2

Basic Information
CAS No.: 1570-45-2
Name: Ethyl isonicotinate
Molecular Structure:
Molecular Structure of 1570-45-2 (Ethyl isonicotinate)
Formula: C8H9NO2
Molecular Weight: 151.16
Synonyms: gamma-Pyridinecarboxylic acid ethyl ester;4-Picolinic acid ethyl ester or ethyl isonicotinate;4-Carboethoxypyridine;Isonicotinic acid ethyl ester;
EINECS: 216-379-2
Density: 1.102 g/cm3
Melting Point: 23 °C
Boiling Point: 219.5 °C at 760 mmHg
Flash Point: 89 °C
Solubility: immiscible with water
Appearance: clear colorless to light brown liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 39.19000
LogP: 1.25830
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Chemistry


IUPAC Name: Ethyl pyridine-4-carboxylate
Canonical SMILES: CCOC(=O)C1=CC=NC=C1
InChI: InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChIKey: MCRPKBUFXAKDKI-UHFFFAOYSA-N
Molecular Weight: 151.16256 [g/mol]
Molecular Formula: C8H9NO2
XLogP3: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3 
EINECS: 216-379-2 
solubility: H2O: soluble
Water Solubility: immiscible
Appearance: clear colorless to light brown liquid
Melting Point: 23 °C
Index of Refraction: 1.506
Molar Refractivity: 40.75 cm3
Molar Volume: 137 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.102 g/cm3
Flash Point: 89 °C
Enthalpy of Vaporization: 45.59 kJ/mol
Boiling Point: 219.5 °C at 760 mmHg
Vapour Pressure: 0.119 mmHg at 25 °C
Product Categories of Ethyl isonicotinate (CAS NO.1570-45-2): CARBOXYLICESTER; C7 and C8; Heterocyclic Building Blocks; Pyridines

Uses

 Ethyl isonicotinate (CAS NO.1570-45-2) is chiefly used in antituberculosis drugs especially Isoniazid (isonicotinic acid hydrazide), the most effective one. It is widely used in manufacturing pharmaceuticals and agrochemicals.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03434,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS of Ethyl isonicotinate (CAS NO.1570-45-2): NS1450000

Specification

 Ethyl isonicotinate (CAS NO.1570-45-2), its Synonyms are 4-Carbethoxypyridine ; 4-Carboethoxypyridine ; 4-Pyridinecarboxylic acid, ethyl ester ; Ethyl 4-pyridinecarboxylate ; Isonicotinic acid ethyl ester ; gamma-Pyridinecarboxylic acid ethyl ester .