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CAS No.: | 100523-83-9 |
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Name: | 4-Bromo-2-iodopyridine |
Molecular Structure: | |
Formula: | C5H3BrIN |
Molecular Weight: | 283.89 |
Synonyms: | Pyridine, 4-bromo-2-iodo-; |
Density: | 2.347 g/cm3 |
Boiling Point: | 282.6 °C at 760 mmHg |
Flash Point: | 124.7 °C |
PSA: | 12.89000 |
LogP: | 2.44870 |
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The 4-Bromo-2-iodopyridine, with the CAS registry number of 100523-83-9, is also known as Pyridine, 4-bromo-2-iodo-. This chemical's molecular formula is C5H3BrIN and molecular weight is 283.89. What's more, its systematic name is 4-Bromo-2-iodo-pyridine.
Physical properties about the 4-Bromo-2-iodopyridine are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.665; (10)Molar Refractivity: 44.94 cm3; (11)Molar Volume: 120.9 cm3; (12)Surface Tension: 53.8 dyne/cm; (13)Density: 2.347 g/cm3; (14)Flash Point: 124.7 °C; (15)Enthalpy of Vaporization: 50.05 kJ/mol; (16)Boiling Point: 282.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00569 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccnc(I)c1
(2) InChI: InChI=1/C5H3BrIN/c6-4-1-2-8-5(7)3-4/h1-3H
(3) InChIKey: MZWFYABOEZMENB-UHFFFAOYAT