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CAS No.: | 179056-98-5 |
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Name: | CHEMPACIFIC 38112 |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H6Cl2N2 |
Molecular Weight: | 177.033 |
Synonyms: | 2,4-Dichloro-6-methylpyridin-3-amine; |
EINECS: | 200-258-5 |
Density: | 1.415 g/cm3 |
Boiling Point: | 271.975 °C at 760 mmHg |
Flash Point: | 118.286 °C |
PSA: | 38.91000 |
LogP: | 2.86020 |
The 3-Pyridinamine, 2,4-dichloro-6-methyl-, with the CAS registry number 179056-98-5, is also known as 2,4-Dichloro-6-methyl-3-pyridinamine. This chemical's molecular formula is C6H6Cl2N2 and molecular weight is 177.03. What's more, its IUPAC name is called 2,4-Dichloro-6-methylpyridin-3-amine.
Physical properties about 3-Pyridinamine, 2,4-dichloro-6-methyl- are: (1)ACD/LogP: 2.328; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.59; (6)ACD/BCF (pH 7.4): 34.60; (7)ACD/KOC (pH 5.5): 439.74; (8)ACD/KOC (pH 7.4): 439.82; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 43.195 cm3; (15)Molar Volume: 125.114 cm3; (16)Polarizability: 17.124×10-24cm3; (17)Surface Tension: 52.411 dyne/cm; (18)Density: 1.415 g/cm3; (19)Flash Point: 118.286 °C; (20)Enthalpy of Vaporization: 51.024 kJ/mol; (21)Boiling Point: 271.975 °C at 760 mmHg; (22)Vapour Pressure: 0.0060 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(nc(Cl)c1N)C
(2) InChI: InChI=1S/C6H6Cl2N2/c1-3-2-4(7)5(9)6(8)10-3/h2H,9H2,1H3
(3) InChIKey: BDFQTWLWCYNRBP-UHFFFAOYSA-N