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CAS No.: | 109371-17-7 |
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Name: | 2,4-DICHLORO-3,5,6-TRIMETHYLPYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H9Cl2N |
Molecular Weight: | 190.072 |
Synonyms: | 4,6-Dichloro-2,3,5-trimethylpyridine; |
Density: | 1.223 g/cm3 |
Boiling Point: | 263.3 °C at 760 mmHg |
Flash Point: | 138.4 °C |
PSA: | 12.89000 |
LogP: | 3.31360 |
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The Pyridine, 2, 4-dichloro-3, 5, 6-trimethyl-, with the CAS registry number 109371-17-7, is also known as 4, 6-Dichloro-2, 3, 5-trimethylpyridine. It belongs to the product category of API Intermediates. This chemical's molecular formula is C8H9Cl2N and molecular weight is 190.07. What's more, its IUPAC name is 2, 4-Dichloro-3, 5, 6-trimethylpyridine.
Physical properties about Pyridine, 2, 4-dichloro-3, 5, 6-trimethyl- are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.66; (6)ACD/BCF (pH 7.4): 169.66; (7)ACD/KOC (pH 5.5): 1372.58; (8)ACD/KOC (pH 7.4): 1372.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 48.6 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 19.27×10-24 cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 138.4 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 263.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0169 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(c(nc(Cl)c1C)C)C
(2) InChI: InChI=1/C8H9Cl2N/c1-4-6(3)11-8(10)5(2)7(4)9/h1-3H3
(3) InChIKey: FNOUXTVKTVUSAM-UHFFFAOYAG