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CAS No.: | 61686-65-5 |
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Name: | PYRIDINE, 2,5-DIBROMO-3-(BROMOMETHYL)- |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H4Br3N |
Molecular Weight: | 329.816 |
Synonyms: | 3-Bromomethyl-2,5-dibromopyridine; |
Density: | 2.282 g/cm3 |
Boiling Point: | 334.4 °C at 760 mmHg |
Flash Point: | 156 °C |
PSA: | 12.89000 |
LogP: | 3.50150 |
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The Pyridine, 2, 5-dibromo-3-(bromomethyl)-, with the CAS registry number 61686-65-5, is also known as 3-Bromomethyl-2,5-dibromopyridine. This chemical's molecular formula is C6H4Br3N and molecular weight is 329.82. What's more, its systematic name is 2, 5-Dibromo-3-(bromomethyl)pyridine.
Physical properties about Pyridine, 2, 5-dibromo-3-(bromomethyl)- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 184.47; (6)ACD/BCF (pH 7.4): 184.47; (7)ACD/KOC (pH 5.5): 1457.33; (8)ACD/KOC (pH 7.4): 1457.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 52.37 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 20.76×10-24 cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 2.282 g/cm3; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 55.45 kJ/mol; (21)Boiling Point: 334.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000249 mmHg at 25 °C.
Uses of Pyridine, 2, 5-dibromo-3-(bromomethyl)-: it is used to produce other chemicals. For example, it is used to produce (2, 5-Dibromo-pyridin-3-ylmethyl)-phenyl-amine. The reaction needs solvent Ethanol. The reaction temperature is 20 °C. The yield is about 34.5 %.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(Br)cnc1Br
(2) InChI: InChI=1/C6H4Br3N/c7-2-4-1-5(8)3-10-6(4)9/h1,3H,2H2
(3) InChIKey: WNSGYKIJKOYVCB-UHFFFAOYAH