2-Chloronicotinamide

The 2-Chloronicotinamide, with the CAS registry number 10366-35-5, is also known as 2-Chloro-3-pyridinecarboxamide. It belongs to the product categories of Chloropyridines; Halopyridines; C6 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. Its EINECS number is 233-808-9. This chemical's molecular formula is C₆H₅ClN₂O and molecular weight is 156.57. What's more, its systematic name is 2-Chloronicotinamide. This chemical should be sealed and stored in a cool and dry place.

Physical properties of 2-Chloronicotinamide are: (1)ACD/LogP: -0.271; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 16.98; (8)ACD/KOC (pH 7.4): 16.98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.98 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 38.17 cm³; (15)Molar Volume: 113.309 cm³; (16)Polarizability: 15.132×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.382 g/cm³; (19)Flash Point: 143.545 °C; (20)Enthalpy of Vaporization: 55.484 kJ/mol; (21)Boiling Point: 313.74 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2-Chloronicotinamide: this chemical can be prepared by 2-chloro-nicotinic acid ethyl ester at the temperature of 60 °C. This reaction will need reagents formamide, 25percent methanol. CH₃ONa and solvent dimethylformamide with the reaction time of 18 hours. The yield is about 65%.

Uses of 2-Chloronicotinamide: it can be used to produce 2-hydrazino-nicotinamide at the temperature of 140 °C. It will need reagent H₂NNH₂·H₂O and solvent xylene with the reaction time of 20 hours. The yield is about 67%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccnc1Cl)N
(2)Std. InChI: InChI=1S/C6H5ClN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)
(3)Std. InChIKey: ZQZAHPFFZWEUCL-UHFFFAOYSA-N