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CAS No.: | 5005-62-9 |
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Name: | 4-AMINO-3,5,6-TRICHLORO-2-(TRICHLOROMETHYL)PYRIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H2Cl6N2 |
Molecular Weight: | 314.813 |
Synonyms: | 4-Amino-3,5,6-Trichloro-2-(Trichloromethyl)Pyridine; |
Density: | 1.829 g/cm3 |
Boiling Point: | 369.7 °C at 760 mmHg |
Flash Point: | 177.4 °C |
PSA: | 38.91000 |
LogP: | 5.03190 |
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The 4-Pyridinamine,2,3,5-trichloro-6-(trichloromethyl)-, with the CAS registry number 5005-62-9, is also known as 4-Amino-3,5,6-Trichloro-2-(Trichloromethyl)Pyridine. It belongs to the product categorie of Pyridine. This chemical's molecular formula is C6H2Cl6N2 and molecular weight is 314.8115. What's more, both its IUPAC name and systematic name are the same which is called 2,3,5-Trichloro-6-(trichloromethyl)pyridin-4-amine.
Physical properties about 4-Pyridinamine,2,3,5-trichloro-6-(trichloromethyl)- are: (1)ACD/LogP: 4.60; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.6; (4)ACD/LogD (pH 7.4): 4.6; (5)ACD/BCF (pH 5.5): 1834.17; (6)ACD/BCF (pH 7.4): 1834.17; (7)ACD/KOC (pH 5.5): 7543.39; (8)ACD/KOC (pH 7.4): 7543.39; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 62.3 cm3; (15)Molar Volume: 172.1 cm3; (16)Polarizability: 24.69×10-24 cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.829 g/cm3; (19)Flash Point: 177.4 °C; (20)Enthalpy of Vaporization: 61.65 kJ/mol; (21)Boiling Point: 369.7 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-05 mmHg at 25 °C.
Preparation of 4-Pyridinamine,2,3,5-trichloro-6-(trichloromethyl)-: this chemical can be prepared by 2,3,4,5-Tetrachloro-6-trichloromethyl-pyridine. This reaction needs reagent NH3 and solvent Dimethylsulfoxide at temperature of 100 °C. The reaction time is 0.5 hours. The yield is 87.7 %.
Uses of 4-Pyridinamine,2,3,5-trichloro-6-(trichloromethyl)-: it can react with Tetrachloromethane to give C7Cl8N2. The reaction occurs with reagent AlCl3. The yield is 79 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(N)c(Cl)c(nc1Cl)C(Cl)(Cl)Cl
(2) InChI: InChI=1/C6H2Cl6N2/c7-1-3(13)2(8)5(9)14-4(1)6(10,11)12/h(H2,13,14)
(3) InChIKey: VNJVZJNBTWPKNX-UHFFFAOYAP