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Nicotinoyl chloride hydrochloride

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Name

Nicotinoyl chloride hydrochloride

EINECS 243-648-1
CAS No. 20260-53-1 Density 1.297g/cm3
PSA 29.96000 LogP 2.26260
Solubility It decomposes in water. Melting Point 151-157 °C(lit.)
Formula C6H4ClNO.ClH Boiling Point 215.3 °C at 760 mmHg
Molecular Weight 178.018 Flash Point 84 °C
Transport Information UN 3261 8/PG 2 Appearance white to off-white crystalline powder
Safety 26-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 20260-53-1 (NICOTINOYL CHLORIDE HYDROCHLORIDE) Hazard Symbols CorrosiveC
Synonyms

3-Pyridinecarbonylchloride, hydrochloride (9CI);Nicotinoyl chloride, hydrochloride (6CI,8CI);Nicotinic acid chloride hydrochloride;

Article Data 37

Nicotinoyl chloride hydrochloride 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%.

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