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| CAS No.: | 1570-45-2 |
|---|---|
| Name: | Ethyl isonicotinate |
| Article Data: | 83 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 39.19000 |
| LogP: | 1.25830 |
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Chemistry
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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: 
Xi
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 .