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| CAS No.: | 101079-63-4 |
|---|---|
| Name: | 2,6-DICHLOROPYRIDINE-3,4-DIAMINE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C5H5Cl2N3 |
| Molecular Weight: | 178.021 |
| Synonyms: | 2,6-Dichloropyridine-3,4-diamine; |
| Density: | 1.602 g/cm3 |
| Melting Point: | 181-183℃ |
| Boiling Point: | 424.014 °C at 760 mmHg |
| Flash Point: | 210.236 °C |
| PSA: | 64.93000 |
| LogP: | 2.71520 |
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Specification
The 3,4-Pyridinediamine, 2,6-dichloro-, with the CAS registry number 101079-63-4, is also known as 2,6-Dichloro-3,4-pyridinediamine. This chemical's molecular formula is C5H5Cl2N3 and molecular weight is 176.99. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Dichloropyridine-3,4-diamine.
Physical properties about 3,4-Pyridinediamine, 2,6-dichloro- are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 504; (8)ACD/KOC (pH 7.4): 504; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.93 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 42.607 cm3; (15)Molar Volume: 111.119 cm3; (16)Surface Tension: 73.022 dyne/cm; (17)Density: 1.602 g/cm3; (18)Flash Point: 210.236 °C; (19)Enthalpy of Vaporization: 67.844 kJ/mol; (20)Boiling Point: 424.014 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(Cl)cc(N)c1N
(2) InChI: InChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10)
(3) InChIKey: HDNVWGXGFBVDKV-UHFFFAOYSA-N