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2-Chloronicotinamide

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Name

2-Chloronicotinamide

EINECS 233-808-9
CAS No. 10366-35-5 Density 1.382 g/cm3
PSA 55.98000 LogP 1.53420
Solubility N/A Melting Point 164-167 °C(lit.)
Formula C6H5ClN2O Boiling Point 313.74 °C at 760 mmHg
Molecular Weight 156.572 Flash Point 143.545 °C
Transport Information N/A Appearance Beige fine crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10366-35-5 (2-Chloronicotinamide) Hazard Symbols IrritantXi
Synonyms

Nicotinamide,2-chloro- (6CI,7CI);2-Chloro-3-pyridinecarboxamide;2-Chloronicotinamide;

Article Data 22

2-Chloronicotinamide Specification

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%.

2-Chloronicotinamide can be prepared by 2-chloro-nicotinic acid ethyl ester at the temperature of 60 °C

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%.

2-Chloronicotinamide can be used to produce 2-hydrazino-nicotinamide at the temperature of 140 °C

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 

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