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| CAS No.: | 70593-57-6 |
|---|---|
| Name: | 4,6-DICHLORO-NICOTINAMIDE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H4Cl2N2O |
| Molecular Weight: | 191.017 |
| Synonyms: | Nicotinamide,4,6-dichloro- (7CI);4,6-Dichloro-3-pyridinecarboxamide;4,6-Dichloronicotinamide; |
| Density: | 1.524g/cm3 |
| Melting Point: | 153-155°C |
| Boiling Point: | 302.9 °C at 760 mmHg |
| Flash Point: | 137 °C |
| PSA: | 55.98000 |
| LogP: | 2.18760 |
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- Total:28 Page 1 of 1 1
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Specification
The 4,6-Dichloronicotinamide, with CAS registry number 70593-57-6, belongs to the following product category: Pyridines. It has the systematic name of 4,6-dichloropyridine-3-carboxamide. Besides this, it is also called 4,6-Dichloronicotinamide. And the chemical formula of this chemical is C6H4Cl2N2O.
Physical properties of 4,6-Dichloronicotinamide: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 64.06; (8)ACD/KOC (pH 7.4): 64.06; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 43.06 cm3; (15)Molar Volume: 125.2 cm3; (16)Polarizability: 17.07×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.524 g/cm3; (19)Flash Point: 137 °C; (20)Enthalpy of Vaporization: 54.31 kJ/mol; (21)Boiling Point: 302.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000965 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(C(=O)N)cnc(Cl)c1
(2)InChI: InChI=1/C6H4Cl2N2O/c7-4-1-5(8)10-2-3(4)6(9)11/h1-2H,(H2,9,11)
(3)InChIKey: IQVYHPUXNYVYFW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H4Cl2N2O/c7-4-1-5(8)10-2-3(4)6(9)11/h1-2H,(H2,9,11)
(5)Std. InChIKey: IQVYHPUXNYVYFW-UHFFFAOYSA-N