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CAS No.: | 98027-80-6 |
---|---|
Name: | 4-Bromo-2,6-Dichloropyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H2BrCl2N |
Molecular Weight: | 226.888 |
Synonyms: | Pyridine, 4-bromo-2,5-dichloro-; |
Density: | 1.848 g/cm3 |
Melting Point: | 95℃ |
Boiling Point: | 254.3 °C at 760 mmHg |
Flash Point: | 107.597 °C |
PSA: | 12.89000 |
LogP: | 3.15090 |
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The 4-Bromo-2,6-Dichloropyridine, with the CAS registry number of 98027-80-6, is also known as Pyridine, 4-bromo-2,5-dichloro-. This chemical's molecular formula is C5H2BrCl2N and molecular weight is 226.89. What's more, its systematic name is 4-Bromo-2,5-dichloro-pyridine.
Physical properties about the 4-Bromo-2,6-Dichloropyridine are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.105; (4)ACD/LogD (pH 7.4): 3.105; (5)ACD/BCF (pH 5.5): 134.737; (6)ACD/BCF (pH 7.4): 134.737; (7)ACD/KOC (pH 5.5): 1163.849; (8)ACD/KOC (pH 7.4): 1163.849; (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: 1.597; (14)Molar Refractivity: 41.824 cm3; (15)Molar Volume: 122.743 cm3; (16)Surface Tension: 48.344 dyne/cm; (17)Density: 1.848 g/cm3; (18)Flash Point: 107.597 °C; (19)Enthalpy of Vaporization: 47.185 kJ/mol; (20)Boiling Point: 254.3 °C at 760 mmHg; (21)Vapour Pressure: 0.028 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(cnc1Cl)Cl)Br
(2) InChI: InChI=1/C5H2BrCl2N/c6-3-1-5(8)9-2-4(3)7/h1-2H
(3) InChIKey: KKWPWIYBRGEYEB-UHFFFAOYAB