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CAS No.: | 101079-67-8 |
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Name: | 2,6-DINITRO-3-CHLOROPYRIDINE |
Molecular Structure: | |
Formula: | C5H2ClN3O4 |
Molecular Weight: | 203.542 |
Synonyms: | 3-chloro-2,6-dinitropyridine; |
Density: | 1.72 g/cm3 |
Melting Point: | 97 °C(Solv: benzene (71-43-2); ligroine (8032-32-4)) |
Boiling Point: | 376.1 °C at 760 mmHg |
Flash Point: | 181.3 °C |
PSA: | 104.53000 |
LogP: | 2.59780 |
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This chemical is called 3-Chloro-2,6-dinitropyridine, and it can also be named as Pyridine, 3-chloro-2,6-dinitro-. With the molecular formula of C5H2ClN3O4, its molecular weight is 203.54. The CAS registry number of this chemical is 101079-67-8. Additionally, its product category is Pyridine.
Other characteristics of the 3-Chloro-2,6-dinitropyridine can be summarised as followings: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 3.07; (7)ACD/KOC (pH 5.5): 77.61; (8)ACD/KOC (pH 7.4): 77.61; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 104.53 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 42.33 cm3; (15)Molar Volume: 118.2 cm3; (16)Polarizability: 16.78×10-24cm3; (17)Surface Tension: 75.1 dyne/cm; (18)Density: 1.72 g/cm3; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 59.93 kJ/mol; (21)Boiling Point: 376.1 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(nc1[N+](=O)[O-])[N+]([O-])=O
2.InChI: InChI=1/C5H2ClN3O4/c6-3-1-2-4(8(10)11)7-5(3)9(12)13/h1-2H
3.InChIKey: ZXEQNAJFLDCBQY-UHFFFAOYAV