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| CAS No.: | 20260-53-1 |
|---|---|
| Name: | NICOTINOYL CHLORIDE HYDROCHLORIDE |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4ClNO.ClH |
| Molecular Weight: | 178.018 |
| Synonyms: | 3-Pyridinecarbonylchloride, hydrochloride (9CI);Nicotinoyl chloride, hydrochloride (6CI,8CI);Nicotinic acid chloride hydrochloride; |
| EINECS: | 243-648-1 |
| Density: | 1.297g/cm3 |
| Melting Point: | 151-157 °C(lit.) |
| Boiling Point: | 215.3 °C at 760 mmHg |
| Flash Point: | 84 °C |
| Solubility: | It decomposes in water. |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-28-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 29.96000 |
| LogP: | 2.26260 |
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Specification
Nicotinoyl chloride hydrochloride , with cas registry number of 20260-53-1, belongs to the product categories of Nitrogen cyclic compounds; Pyridine; C6; Heterocyclic Building Blocks; Pyridines according to the characteristical of the molecular structure. This compound is sensitive to moisture. So keep it in the dry place. Nicotinoyl chloride hydrochloride also causes burns. Before use it, wear suitable protective clothing, gloves and eye/face protection. If contact with skin accidently, wash immediately with plenty of soap-suds. If contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately.
The IUPAC name of Nicotinoyl chloride hydrochloride is called pyridine-3-carbonyl chloride hydrochloride . And its systematic name is pyridine-3-carbonyl chloride hydrochloride (1:1) with the SMILES of ClC(=O)c1cccnc1.Cl. The physical properties of this compound include (1) H bond acceptors: 2; (2) H bond donors: 0; (3) Freely Rotating Bonds: 1; (4) Polar Surface Area: 29.96 Å2; (5) Enthalpy of Vaporization: 45.16 kJ/mol; (6) Vapour Pressure: 0.149 mmHg at 25°C.
Nicotinoyl chloride hydrochloride is always used to prepare other chemicals in organic synthesis such as nicotinic acid phenethylamide , N-carbamoyl-nicotinamide , nicotinic acid 2-[(pyridine-3-carbonyl)-amino]-butyl ester , and so on. For example, Nicotinoyl chloride hydrochloride can react with 4-aminomethyl-benzoic acid to produce N-(Nicotinoyl)-p-aminomethylbenzoic acid using the reagent of sodium hydroxide in the solvent of water. The yield is about 47%.