Ethyl 6-chloronicotinate
Synonym(s):Ethyl 6-chloronicotinate
- CAS NO.：49608-01-7
- Empirical Formula: C8H8ClNO2
- Molecular Weight: 185.61
- MDL number: MFCD00082739
- EINECS: 610-463-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-09-01 17:37:15
What is Ethyl 6-chloronicotinate?
Chemical properties
White to light yellow solid or colorless to yellow liquid
The Uses of Ethyl 6-chloronicotinate
Ethyl 6-chloronicotinate is a nicotinic acid derivative used in the preparation of potent H3 receptor antagonists.
The Uses of Ethyl 6-chloronicotinate
Ethyl 6-chloropyridine-3-carboxylate (Ethyl 6-chloronicotinate) may be used in the preparation of ethyl 5-{[5-(1H-benzimidazol-2-yl)pyridin-2-yl]ethynyl}pyridine-2-carboxylate by reacting with 2-[6-(ethynyl)pyridin-3-yl]-1H-benzimidazole under microwave irradiation.
General Description
Ethyl 6-chloropyridine-3-carboxylate (Ethyl-6-chloronicotinate, E-6-ClN) undergoes direct amidation on reacting with benzylamine in the presence lanthanum trifluoromethanesulfonate La(OTf)3. The structural and physicochemical properties of E-6-ClN have been investigated based on its spectroscopic data, time-dependent density functional theory and density of state diagrams.
Properties of Ethyl 6-chloronicotinate
| Melting point: | 26-30 °C(lit.) |
| Boiling point: | 98 °C |
| Density | 1.245±0.06 g/cm3(Predicted) |
| refractive index | 1.522 |
| Flash point: | >230 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | -1.95±0.10(Predicted) |
| color | Colourless to Off-White Oil to Low-Melting |
| BRN | 4742175 |
| CAS DataBase Reference | 49608-01-7(CAS DataBase Reference) |
Safety information for Ethyl 6-chloronicotinate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for Ethyl 6-chloronicotinate
| InChIKey | ILDJJTQWIZLGPO-UHFFFAOYSA-N |
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